[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenoxy)ethanoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenoxy)ethanoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 2-(3,4-dimethylphenoxy)acetate CAS Name: 2-(3,4-dimethylphenoxy)acetic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate Traditional Name: 2-(3,4-dimethylphenoxy)acetic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)COC3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)COC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H25NO4S/c1-15-8-9-18(12-16(15)2)26-14-22(25)27-13-21(24)23-11-10-17(3)28-20-7-5-4-6-19(20)23/h4-9,12,17H,10-11,13-14H2,1-3H3