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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=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

CCCCOC(=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/C28H24N2O6S/c1-2-3-17-36-28(35)19-11-15-21(16-12-19)30-25(31)23(29-20-13-9-18(10-14-20)27(33)34)24(26(30)32)37-22-7-5-4-6-8-22/h4-16,29H,2-3,17H2,1H3,(H,33,34)