3-ethyl-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one hydrochloride

Systemtic Name: 3-ethyl-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one hydrochloride Openeye Name: 3-ethyl-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one hydrochloride CAS Name: 3-ethyl-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one hydrochloride IUPAC Name: 3-ethyl-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one hydrochloride Traditional Name: 3-ethyl-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one hydrochloride Formula: C18H20ClNO2S MolecularWeight: 349.8749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC.Cl

Isomeric SMILES

CCC1C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC.Cl

InChI

InChI=1S/C18H19NO2S.ClH/c1-3-14-17(12-8-10-13(21-2)11-9-12)22-16-7-5-4-6-15(16)19-18(14)20;/h4-11,14,17H,3H2,1-2H3,(H,19,20);1H