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

Systemtic Name: 4-[[2,5-bis(oxidanylidene)-4-phenylsulfanyl-1-(4-propan-2-yloxycarbonylphenyl)pyrrol-3-yl]amino]benzoic acid Openeye Name: 4-[[1-(4-isopropoxycarbonylphenyl)-2,5-dioxo-4-phenylsulfanyl-pyrrol-3-yl]amino]benzoic acid CAS Name: 4-[[2,5-dioxo-1-[4-[oxo(propan-2-yloxy)methyl]phenyl]-4-(phenylthio)-3-pyrrolyl]amino]benzoic acid IUPAC Name: 4-[[2,5-dioxo-4-phenylsulfanyl-1-(4-propan-2-yloxycarbonylphenyl)pyrrol-3-yl]amino]benzoic acid Traditional Name: 4-[[1-(4-isopropoxycarbonylphenyl)-2,5-diketo-4-(phenylthio)-3-pyrrolin-3-yl]amino]benzoic acid Formula: C27H22N2O6S MolecularWeight: 502.53838

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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=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O6S/c1-16(2)35-27(34)18-10-14-20(15-11-18)29-24(30)22(28-19-12-8-17(9-13-19)26(32)33)23(25(29)31)36-21-6-4-3-5-7-21/h3-16,28H,1-2H3,(H,32,33)