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

Systemtic Name: methyl 3-[[1-(4-butylphenyl)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-3-yl]amino]benzoate Openeye Name: methyl 3-[[1-(4-butylphenyl)-2,5-dioxo-4-phenylsulfanyl-pyrrol-3-yl]amino]benzoate CAS Name: 3-[[1-(4-butylphenyl)-2,5-dioxo-4-(phenylthio)-3-pyrrolyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-butylphenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-3-yl]amino]benzoate Traditional Name: 3-[[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=CC(=C4)C(=O)OC

Isomeric SMILES

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

InChI

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