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

Systemtic Name: 2-[1-(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(3-ethoxycarbonyl-5-ethyl-2-thienyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(3-ethoxycarbonyl-5-ethyl-2-thiophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(3-ethoxycarbonyl-5-ethylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[1-(3-carbethoxy-5-ethyl-2-thienyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinic acid Formula: C19H18N2O6S2 MolecularWeight: 434.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O)C(=O)OCC

InChI

InChI=1S/C19H18N2O6S2/c1-3-10-8-12(19(26)27-4-2)17(28-10)21-14(22)9-13(16(21)23)29-15-11(18(24)25)6-5-7-20-15/h5-8,13H,3-4,9H2,1-2H3,(H,24,25)