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

Systemtic Name: butyl 4-[3-[(4-ethoxyphenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: butyl 4-[3-(4-ethoxyanilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(4-ethoxyanilino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(4-ethoxyanilino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(phenylthio)-4-(p-phenetidino)-3-pyrrolin-1-yl]benzoic acid butyl ester Formula: C29H28N2O5S MolecularWeight: 516.60802

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O5S/c1-3-5-19-36-29(34)20-11-15-22(16-12-20)31-27(32)25(30-21-13-17-23(18-14-21)35-4-2)26(28(31)33)37-24-9-7-6-8-10-24/h6-18,30H,3-5,19H2,1-2H3