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

Systemtic Name: 9-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Openeye Name: 9-chloro-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride CAS Name: 9-chloro-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride IUPAC Name: 9-chloro-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Traditional Name: 9-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)CCN1C2=C(C(=CC=C2)Cl)SC(C(C1=O)O)C3=CC=C(C=C3)OC.Cl

Isomeric SMILES

CN(C)CCN1C2=C(C(=CC=C2)Cl)SC(C(C1=O)O)C3=CC=C(C=C3)OC.Cl

InChI

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