(2-methoxy-4-methylsulfanyl-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Formula: C19H21NO2S2 MolecularWeight: 359.50554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C19H21NO2S2/c1-13-10-11-20(16-6-4-5-7-18(16)24-13)19(21)15-9-8-14(23-3)12-17(15)22-2/h4-9,12-13H,10-11H2,1-3H3/t13-/m0/s1