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

Systemtic Name: 2-[1-(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[1-(3-carbethoxy-4,5-dimethyl-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:

CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O

InChI

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