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

Systemtic Name: 4-[[1-(4-butylphenyl)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-3-yl]amino]benzoic acid Openeye Name: 4-[[1-(4-butylphenyl)-2,5-dioxo-4-phenylsulfanyl-pyrrol-3-yl]amino]benzoic acid CAS Name: 4-[[1-(4-butylphenyl)-2,5-dioxo-4-(phenylthio)-3-pyrrolyl]amino]benzoic acid IUPAC Name: 4-[[1-(4-butylphenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-3-yl]amino]benzoic acid Traditional Name: 4-[[1-(4-butylphenyl)-2,5-diketo-4-(phenylthio)-3-pyrrolin-3-yl]amino]benzoic acid Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCC1=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/C27H24N2O4S/c1-2-3-7-18-10-16-21(17-11-18)29-25(30)23(28-20-14-12-19(13-15-20)27(32)33)24(26(29)31)34-22-8-5-4-6-9-22/h4-6,8-17,28H,2-3,7H2,1H3,(H,32,33)