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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Openeye Name: 2-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride CAS Name: 2-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Traditional Name: 2-(3,4-dimethoxyphenyl)-5-(2-dimethylaminoethyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S.ClH/c1-22(2)11-12-23-15-7-5-6-8-18(15)28-20(19(24)21(23)25)14-9-10-16(26-3)17(13-14)27-4;/h5-10,13,19-20,24H,11-12H2,1-4H3;1H