5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-one hydrochloride

Systemtic Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-one hydrochloride Openeye Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-one hydrochloride CAS Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-one hydrochloride IUPAC Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-one hydrochloride Traditional Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-one hydrochloride Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(=CC1=O)C3=CC=C(C=C3)OC.Cl

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(=CC1=O)C3=CC=C(C=C3)OC.Cl

InChI

InChI=1S/C20H22N2O2S.ClH/c1-21(2)12-13-22-17-6-4-5-7-18(17)25-19(14-20(22)23)15-8-10-16(24-3)11-9-15;/h4-11,14H,12-13H2,1-3H3;1H