1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Formula: C13H17NOS MolecularWeight: 235.34518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(SC2=CC=CC=C21)C

Isomeric SMILES

CCC(=O)N1CCC(SC2=CC=CC=C21)C

InChI

InChI=1S/C13H17NOS/c1-3-13(15)14-9-8-10(2)16-12-7-5-4-6-11(12)14/h4-7,10H,3,8-9H2,1-2H3