2-(4-methoxyphenyl)-3-oxidanyl-5-(2-piperidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride

Systemtic Name: 2-(4-methoxyphenyl)-3-oxidanyl-5-(2-piperidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Openeye Name: 3-hydroxy-2-(4-methoxyphenyl)-5-[2-(1-piperidyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride CAS Name: 3-hydroxy-2-(4-methoxyphenyl)-5-[2-(1-piperidinyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride IUPAC Name: 3-hydroxy-2-(4-methoxyphenyl)-5-(2-piperidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Traditional Name: 3-hydroxy-2-(4-methoxyphenyl)-5-(2-piperidinoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Formula: C23H29ClN2O3S MolecularWeight: 449.00596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCN4CCCCC4)O.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCN4CCCCC4)O.Cl

InChI

InChI=1S/C23H28N2O3S.ClH/c1-28-18-11-9-17(10-12-18)22-21(26)23(27)25(16-15-24-13-5-2-6-14-24)19-7-3-4-8-20(19)29-22;/h3-4,7-12,21-22,26H,2,5-6,13-16H2,1H3;1H