ethyl (5S)-5-[7-[[(2Z)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl (5S)-5-[7-[[(2Z)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxylate Openeye Name: ethyl (5S)-5-[7-[[(2Z)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-4,5-dihydroisoxazole-3-carboxylate CAS Name: (5S)-5-[7-[[(2Z)-2-methoxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-2-[(4-methoxyphenyl)methoxy-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5S)-5-[7-[[(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxylate Traditional Name: (5S)-5-[8-keto-7-[[(2Z)-2-methyloximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-2-p-anisyloxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-2-isoxazoline-3-carboxylic acid ethyl ester Formula: C46H42N6O9S2 MolecularWeight: 886.99048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(C1)C2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC2)C(=O)OCC8=CC=C(C=C8)OC

Isomeric SMILES

CCOC(=O)C1=NO[C@@H](C1)C2=C(N3C(C(C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC2)C(=O)OCC8=CC=C(C=C8)OC

InChI

InChI=1S/C46H42N6O9S2/c1-4-59-43(55)34-24-36(61-50-34)33-26-62-42-38(41(54)52(42)39(33)44(56)60-25-28-20-22-32(57-2)23-21-28)48-40(53)37(51-58-3)35-27-63-45(47-35)49-46(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31/h5-23,27,36,38,42H,4,24-26H2,1-3H3,(H,47,49)(H,48,53)/b51-37-/t36-,38?,42?/m0/s1