[(7S)-1,2-bis(methoxycarbonyloxy)-10-methylsulfanyl-7-[(4-nitrophenyl)carbonylamino]-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] methyl carbonate

Systemtic Name: [(7S)-1,2-bis(methoxycarbonyloxy)-10-methylsulfanyl-7-[(4-nitrophenyl)carbonylamino]-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] methyl carbonate Openeye Name: [(7S)-1,2-bis(methoxycarbonyloxy)-10-methylsulfanyl-7-[(4-nitrobenzoyl)amino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] methyl carbonate CAS Name: carbonic acid [(7S)-1,2-bis(methoxycarbonyloxy)-10-(methylthio)-7-[[(4-nitrophenyl)-oxomethyl]amino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] methyl ester IUPAC Name: [(7S)-1,2-bis(methoxycarbonyloxy)-10-methylsulfanyl-7-[(4-nitrobenzoyl)amino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] methyl carbonate Traditional Name: carbonic acid [(7S)-1,2-dicarbomethoxyoxy-9-keto-10-(methylthio)-7-[(4-nitrobenzoyl)amino]-6,7-dihydro-5H-benzo[a]heptalen-3-yl] methyl ester Formula: C30H26N2O13S MolecularWeight: 654.59804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)OC)OC(=O)OC

Isomeric SMILES

COC(=O)OC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)OC)OC(=O)OC

InChI

InChI=1S/C30H26N2O13S/c1-40-28(35)43-22-13-16-7-11-20(31-27(34)15-5-8-17(9-6-15)32(38)39)19-14-21(33)23(46-4)12-10-18(19)24(16)26(45-30(37)42-3)25(22)44-29(36)41-2/h5-6,8-10,12-14,20H,7,11H2,1-4H3,(H,31,34)/t20-/m0/s1