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

Systemtic Name: 2-[1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(4-ethoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-(4-ethoxycarbonylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[1-(4-carbethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C20H17NO6S MolecularWeight: 399.41708

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO6S/c1-2-27-20(26)12-7-9-13(10-8-12)21-17(22)11-16(18(21)23)28-15-6-4-3-5-14(15)19(24)25/h3-10,16H,2,11H2,1H3,(H,24,25)