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

Systemtic Name: (2S,3S)-5-(2-dimethylaminoethyl)-8-ethyl-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-5-(2-dimethylaminoethyl)-8-ethyl-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-5-(2-dimethylaminoethyl)-8-ethyl-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-5-(2-dimethylaminoethyl)-8-ethyl-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-5-(2-dimethylaminoethyl)-8-ethyl-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=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/C22H28N2O3S/c1-5-15-6-11-18-19(14-15)28-21(16-7-9-17(27-4)10-8-16)20(25)22(26)24(18)13-12-23(2)3/h6-11,14,20-21,25H,5,12-13H2,1-4H3/t20-,21+/m1/s1