(2R,3R)-5-(2-dimethylaminoethyl)-8-ethyl-2-(4-methylphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2R,3R)-5-(2-dimethylaminoethyl)-8-ethyl-2-(4-methylphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-5-(2-dimethylaminoethyl)-8-ethyl-3-hydroxy-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-5-(2-dimethylaminoethyl)-8-ethyl-3-hydroxy-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-5-(2-dimethylaminoethyl)-8-ethyl-3-hydroxy-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-5-(2-dimethylaminoethyl)-8-ethyl-3-hydroxy-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=O)C(C(S2)C3=CC=C(C=C3)C)O)CCN(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=O)[C@H]([C@H](S2)C3=CC=C(C=C3)C)O)CCN(C)C

InChI

InChI=1S/C22H28N2O2S/c1-5-16-8-11-18-19(14-16)27-21(17-9-6-15(2)7-10-17)20(25)22(26)24(18)13-12-23(3)4/h6-11,14,20-21,25H,5,12-13H2,1-4H3/t20-,21+/m0/s1