phenacyl 2-[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: phenacyl 2-[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: phenacyl 2-(1-methyl-2,5-dioxo-pyrrolidin-3-yl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(1-methyl-2,5-dioxo-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2,5-diketo-1-methyl-pyrrolidin-3-yl)thio]nicotinic acid phenacyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O5S/c1-21-16(23)10-15(18(21)24)27-17-13(8-5-9-20-17)19(25)26-11-14(22)12-6-3-2-4-7-12/h2-9,15H,10-11H2,1H3