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

Systemtic Name: 2-[1-(4-acetyloxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(4-acetoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(4-acetyloxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(4-acetyloxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[1-(4-acetoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinic acid Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C18H14N2O6S/c1-10(21)26-12-6-4-11(5-7-12)20-15(22)9-14(17(20)23)27-16-13(18(24)25)3-2-8-19-16/h2-8,14H,9H2,1H3,(H,24,25)