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

Systemtic Name: methyl 4-[[1-(4-butylphenyl)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-3-yl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C28H26N2O4S MolecularWeight: 486.58204

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O4S/c1-3-4-8-19-11-17-22(18-12-19)30-26(31)24(25(27(30)32)35-23-9-6-5-7-10-23)29-21-15-13-20(14-16-21)28(33)34-2/h5-7,9-18,29H,3-4,8H2,1-2H3