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

Systemtic Name: ethyl 4-[[1-(4-butylphenyl)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-3-yl]amino]benzoate Openeye Name: ethyl 4-[[1-(4-butylphenyl)-2,5-dioxo-4-phenylsulfanyl-pyrrol-3-yl]amino]benzoate CAS Name: 4-[[1-(4-butylphenyl)-2,5-dioxo-4-(phenylthio)-3-pyrrolyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-butylphenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-3-yl]amino]benzoate Traditional Name: 4-[[1-(4-butylphenyl)-2,5-diketo-4-(phenylthio)-3-pyrrolin-3-yl]amino]benzoic acid ethyl ester Formula: C29H28N2O4S MolecularWeight: 500.60862

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O4S/c1-3-5-9-20-12-18-23(19-13-20)31-27(32)25(26(28(31)33)36-24-10-7-6-8-11-24)30-22-16-14-21(15-17-22)29(34)35-4-2/h6-8,10-19,30H,3-5,9H2,1-2H3