6-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride

Systemtic Name: 6-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Openeye Name: 6-chloro-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride CAS Name: 6-chloro-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride IUPAC Name: 6-chloro-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Traditional Name: 6-chloro-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Formula: C20H24Cl2N2O3S MolecularWeight: 443.38716

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C(C(SC2=C1C(=CC=C2)Cl)C3=CC=C(C=C3)OC)O.Cl

Isomeric SMILES

CN(C)CCN1C(=O)C(C(SC2=C1C(=CC=C2)Cl)C3=CC=C(C=C3)OC)O.Cl

InChI

InChI=1S/C20H23ClN2O3S.ClH/c1-22(2)11-12-23-17-15(21)5-4-6-16(17)27-19(18(24)20(23)25)13-7-9-14(26-3)10-8-13;/h4-10,18-19,24H,11-12H2,1-3H3;1H