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

Systemtic Name: 2-[1-(3-methoxycarbonylthiophen-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(3-methoxycarbonyl-2-thienyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(3-methoxycarbonyl-2-thiophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(3-methoxycarbonylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[1-(3-carbomethoxy-2-thienyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinic acid Formula: C16H12N2O6S2 MolecularWeight: 392.40628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O6S2/c1-24-16(23)9-4-6-25-14(9)18-11(19)7-10(13(18)20)26-12-8(15(21)22)3-2-5-17-12/h2-6,10H,7H2,1H3,(H,21,22)