6-ethyl-2-(4-methoxyphenyl)-5-(methylamino)-3-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride

Systemtic Name: 6-ethyl-2-(4-methoxyphenyl)-5-(methylamino)-3-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Openeye Name: 6-ethyl-3-isopropyl-2-(4-methoxyphenyl)-5-(methylamino)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride CAS Name: 6-ethyl-2-(4-methoxyphenyl)-5-(methylamino)-3-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride IUPAC Name: 6-ethyl-2-(4-methoxyphenyl)-5-(methylamino)-3-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Traditional Name: 6-ethyl-3-isopropyl-2-(4-methoxyphenyl)-5-(methylamino)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride Formula: C22H29ClN2O2S MolecularWeight: 420.99586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(C(C(=O)N2NC)C(C)C)C3=CC=C(C=C3)OC.Cl

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(C(C(=O)N2NC)C(C)C)C3=CC=C(C=C3)OC.Cl

InChI

InChI=1S/C22H28N2O2S.ClH/c1-6-15-8-7-9-18-20(15)24(23-4)22(25)19(14(2)3)21(27-18)16-10-12-17(26-5)13-11-16;/h7-14,19,21,23H,6H2,1-5H3;1H