methyl 3-[[2,5-bis(oxidanylidene)-4-phenylsulfanyl-1-(4-propan-2-yloxycarbonylphenyl)pyrrol-3-yl]amino]benzoate

Systemtic Name: methyl 3-[[2,5-bis(oxidanylidene)-4-phenylsulfanyl-1-(4-propan-2-yloxycarbonylphenyl)pyrrol-3-yl]amino]benzoate Openeye Name: methyl 3-[[1-(4-isopropoxycarbonylphenyl)-2,5-dioxo-4-phenylsulfanyl-pyrrol-3-yl]amino]benzoate CAS Name: 3-[[2,5-dioxo-1-[4-[oxo(propan-2-yloxy)methyl]phenyl]-4-(phenylthio)-3-pyrrolyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2,5-dioxo-4-phenylsulfanyl-1-(4-propan-2-yloxycarbonylphenyl)pyrrol-3-yl]amino]benzoate Traditional Name: 3-[[1-(4-isopropoxycarbonylphenyl)-2,5-diketo-4-(phenylthio)-3-pyrrolin-3-yl]amino]benzoic acid methyl ester Formula: C28H24N2O6S MolecularWeight: 516.56496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C28H24N2O6S/c1-17(2)36-28(34)18-12-14-21(15-13-18)30-25(31)23(24(26(30)32)37-22-10-5-4-6-11-22)29-20-9-7-8-19(16-20)27(33)35-3/h4-17,29H,1-3H3