5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione hydrochloride

Systemtic Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione hydrochloride Openeye Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione hydrochloride CAS Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione hydrochloride IUPAC Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-dione hydrochloride Traditional Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepine-3,4-quinone hydrochloride Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(=O)C1=O)C3=CC=C(C=C3)OC.Cl

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(C(=O)C1=O)C3=CC=C(C=C3)OC.Cl

InChI

InChI=1S/C20H22N2O3S.ClH/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14;/h4-11,19H,12-13H2,1-3H3;1H