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

Systemtic Name: (2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-6-methyl-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-6-methyl-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-6-methyl-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-6-methyl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-6-methyl-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(C(C(=O)N2CCN(C)C)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C2C(=CC=C1)S[C@@H]([C@@H](C(=O)N2CCN(C)C)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O3S/c1-14-6-5-7-17-18(14)23(13-12-22(2)3)21(25)19(24)20(27-17)15-8-10-16(26-4)11-9-15/h5-11,19-20,24H,12-13H2,1-4H3/t19-,20+/m0/s1