(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-8-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-8-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-8-isopropyl-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-8-isopropyl-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C23H30N2O3S MolecularWeight: 414.5609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-15(2)17-8-11-19-20(14-17)29-22(16-6-9-18(28-5)10-7-16)21(26)23(27)25(19)13-12-24(3)4/h6-11,14-15,21-22,26H,12-13H2,1-5H3/t21-,22+/m1/s1