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

Systemtic Name: 2-[1-(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(3-methoxycarbonyl-4,5-dimethyl-2-thiophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[1-(3-carbomethoxy-4,5-dimethyl-2-thienyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinic acid Formula: C18H16N2O6S2 MolecularWeight: 420.45944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O)C

InChI

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