methyl 3-(2-methoxyethylamino)-7-[[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-7-pyridin-1-ium-1-ylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl 3-(2-methoxyethylamino)-7-[[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-7-pyridin-1-ium-1-ylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl 3-(2-methoxyethylamino)-7-[[(2E)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-oxo-7-pyridin-1-ium-1-ylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(2-methoxyethylamino)-7-[[(2E)-2-methoxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-8-oxo-7-(1-pyridin-1-iumylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxyethylamino)-7-[[(2E)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-7-pyridin-1-ium-1-ylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-(2-methoxyethylamino)-7-[[(2E)-2-methyloximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-7-(pyridin-1-ium-1-ylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C41H40N7O6S3+ MolecularWeight: 822.9946

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(N2C(C(C2=O)(NC(=O)C(=NOC)C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)S[N+]7=CC=CC=C7)SC1)C(=O)OC

Isomeric SMILES

COCCNC1=C(N2C(C(C2=O)(NC(=O)/C(=N/OC)/C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)S[N+]7=CC=CC=C7)SC1)C(=O)OC

InChI

InChI=1S/C41H39N7O6S3/c1-52-25-22-42-32-27-55-38-41(57-47-23-14-7-15-24-47,37(51)48(38)34(32)36(50)53-2)44-35(49)33(46-54-3)31-26-56-39(43-31)45-40(28-16-8-4-9-17-28,29-18-10-5-11-19-29)30-20-12-6-13-21-30/h4-21,23-24,26,38H,22,25,27H2,1-3H3,(H2-,42,43,44,45,49,50)/p+1/b46-33+