ethyl 4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(2-phenylsulfanylpyridine-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenylsulfanylpyridine-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[2-(phenylthio)nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S/c1-2-25-19(24)22-13-11-21(12-14-22)18(23)16-9-6-10-20-17(16)26-15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3