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

Systemtic Name: 2-[1-(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[1-(3-carbethoxy-4,5-dimethyl-2-thienyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C20H19NO6S2 MolecularWeight: 433.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H19NO6S2/c1-4-27-20(26)16-10(2)11(3)28-18(16)21-15(22)9-14(17(21)23)29-13-8-6-5-7-12(13)19(24)25/h5-8,14H,4,9H2,1-3H3,(H,24,25)