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

Systemtic Name: 2-[2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(2,5-dioxo-1-phenethyl-pyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(2,5-dioxo-1-phenethyl-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2,5-dioxo-1-phenethylpyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2,5-diketo-1-phenethyl-pyrrolidin-3-yl)thio]nicotinic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C18H16N2O4S/c21-15-11-14(25-16-13(18(23)24)7-4-9-19-16)17(22)20(15)10-8-12-5-2-1-3-6-12/h1-7,9,14H,8,10-11H2,(H,23,24)