[(1R)-1-cyanoethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C13H12N2O3S MolecularWeight: 276.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C13H12N2O3S/c1-8(7-14)18-13(17)9-2-3-11-10(6-9)15-12(16)4-5-19-11/h2-3,6,8H,4-5H2,1H3,(H,15,16)/t8-/m1/s1