butyl 4-[3-[(3-hydroxyphenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate

Systemtic Name: butyl 4-[3-[(3-hydroxyphenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: butyl 4-[3-(3-hydroxyanilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(3-hydroxyanilino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(3-hydroxyanilino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(3-hydroxyanilino)-2,5-diketo-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid butyl ester Formula: C27H24N2O5S MolecularWeight: 488.55486

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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(=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O5S/c1-2-3-16-34-27(33)18-12-14-20(15-13-18)29-25(31)23(28-19-8-7-9-21(30)17-19)24(26(29)32)35-22-10-5-4-6-11-22/h4-15,17,28,30H,2-3,16H2,1H3