methyl 4-[2,5-bis(oxidanylidene)-3-(4-pyrrol-1-ylphenyl)sulfanyl-pyrrolidin-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-bis(oxidanylidene)-3-(4-pyrrol-1-ylphenyl)sulfanyl-pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-[2,5-dioxo-3-(4-pyrrol-1-ylphenyl)sulfanyl-pyrrolidin-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-[[4-(1-pyrrolyl)phenyl]thio]-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dioxo-3-(4-pyrrol-1-ylphenyl)sulfanylpyrrolidin-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-[(4-pyrrol-1-ylphenyl)thio]pyrrolidino]benzoic acid methyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C22H18N2O4S/c1-28-22(27)15-4-6-17(7-5-15)24-20(25)14-19(21(24)26)29-18-10-8-16(9-11-18)23-12-2-3-13-23/h2-13,19H,14H2,1H3