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

Systemtic Name: 6-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one chloride Openeye Name: 6-chloro-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one chloride CAS Name: 6-chloro-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one chloride IUPAC Name: 6-chloro-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one chloride Traditional Name: 6-chloro-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one chloride Formula: C20H23Cl2N2O3S- MolecularWeight: 442.37922

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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/p-1