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

Systemtic Name: 2-[1-(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(3-ethoxycarbonyl-5-ethyl-2-thienyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-(3-ethoxycarbonyl-5-ethyl-2-thiophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(3-ethoxycarbonyl-5-ethylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[1-(3-carbethoxy-5-ethyl-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:

CCC1=CC(=C(S1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)C(=O)OCC

InChI

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