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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4S/c1-11(12-6-3-2-4-7-12)20-15(21)10-14(17(20)22)25-16-13(18(23)24)8-5-9-19-16/h2-9,11,14H,10H2,1H3,(H,23,24)