ethyl (3S)-4-(3-cyanophenyl)carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl (3S)-4-(3-cyanophenyl)carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl (3S)-4-(3-cyanobenzoyl)thiomorpholine-3-carboxylate CAS Name: (3S)-4-[(3-cyanophenyl)-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-(3-cyanobenzoyl)thiomorpholine-3-carboxylate Traditional Name: (3S)-4-(3-cyanobenzoyl)thiomorpholine-3-carboxylic acid ethyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)[C@H]1CSCCN1C(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H16N2O3S/c1-2-20-15(19)13-10-21-7-6-17(13)14(18)12-5-3-4-11(8-12)9-16/h3-5,8,13H,2,6-7,10H2,1H3/t13-/m1/s1