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

Systemtic Name: propyl 4-[3-[(3-methylphenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: propyl 4-[3-(3-methylanilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(3-methylanilino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 4-[3-(3-methylanilino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(m-toluidino)-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid propyl ester Formula: C27H24N2O4S MolecularWeight: 472.55546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O4S/c1-3-16-33-27(32)19-12-14-21(15-13-19)29-25(30)23(28-20-9-7-8-18(2)17-20)24(26(29)31)34-22-10-5-4-6-11-22/h4-15,17,28H,3,16H2,1-2H3