[8-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methylsulfanylphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [8-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methylsulfanylphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [8-chloro-5-(2-dimethylaminoethyl)-2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [8-chloro-5-(2-dimethylaminoethyl)-2-[4-(methylthio)phenyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [8-chloro-5-(2-dimethylaminoethyl)-2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [8-chloro-5-(2-dimethylaminoethyl)-4-keto-2-[4-(methylthio)phenyl]-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C22H25ClN2O3S2 MolecularWeight: 465.0285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H25ClN2O3S2/c1-14(26)28-20-21(15-5-8-17(29-4)9-6-15)30-19-13-16(23)7-10-18(19)25(22(20)27)12-11-24(2)3/h5-10,13,20-21H,11-12H2,1-4H3