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

Systemtic Name: 2-[1-(3-ethoxycarbonyl-5-methyl-thiophen-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(3-ethoxycarbonyl-5-methyl-2-thienyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(3-ethoxycarbonyl-5-methyl-2-thiophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(3-ethoxycarbonyl-5-methylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[1-(3-carbethoxy-5-methyl-2-thienyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinic acid Formula: C18H16N2O6S2 MolecularWeight: 420.45944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6S2/c1-3-26-18(25)11-7-9(2)27-16(11)20-13(21)8-12(15(20)22)28-14-10(17(23)24)5-4-6-19-14/h4-7,12H,3,8H2,1-2H3,(H,23,24)