tert-butyl 7-[[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-(3-nitrophenyl)sulfanyl-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-[[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-(3-nitrophenyl)sulfanyl-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-[[(2E)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-3-(3-nitrophenyl)sulfanyl-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-methoxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-3-[(3-nitrophenyl)thio]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[(2E)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-(3-nitrophenyl)sulfanyl-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[[(2E)-2-methyloximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-3-[(3-nitrophenyl)thio]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C42H38N6O7S3 MolecularWeight: 834.98212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)SC7=CC=CC(=C7)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SCC2N1C(=O)C2NC(=O)/C(=N/OC)/C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)SC7=CC=CC(=C7)[N+](=O)[O-]

InChI

InChI=1S/C42H38N6O7S3/c1-41(2,3)55-38(51)35-39(58-30-22-14-21-29(23-30)48(52)53)56-25-32-34(37(50)47(32)35)44-36(49)33(46-54-4)31-24-57-40(43-31)45-42(26-15-8-5-9-16-26,27-17-10-6-11-18-27)28-19-12-7-13-20-28/h5-24,32,34H,25H2,1-4H3,(H,43,45)(H,44,49)/b46-33+