3-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Openeye Name: 3-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride CAS Name: 3-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Traditional Name: 3-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SCC(C1=O)C3=CC(=C(C=C3)OC)OC.Cl

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SCC(C1=O)C3=CC(=C(C=C3)OC)OC.Cl

InChI

InChI=1S/C21H26N2O3S.ClH/c1-22(2)11-12-23-17-7-5-6-8-20(17)27-14-16(21(23)24)15-9-10-18(25-3)19(13-15)26-4;/h5-10,13,16H,11-12,14H2,1-4H3;1H