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

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

Isomeric SMILES

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

InChI

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