methyl 2-[1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate Openeye Name: methyl 2-[1-(4-ethoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoate CAS Name: 2-[[1-(4-ethoxycarbonylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoate Traditional Name: 2-[[1-(4-carbethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid methyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H19NO6S/c1-3-28-20(25)13-8-10-14(11-9-13)22-18(23)12-17(19(22)24)29-16-7-5-4-6-15(16)21(26)27-2/h4-11,17H,3,12H2,1-2H3