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

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(4-ethoxyphenoxy)ethanoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 2-(4-ethoxyphenoxy)acetate CAS Name: 2-(4-ethoxyphenoxy)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-(4-ethoxyphenoxy)acetate Traditional Name: 2-(4-ethoxyphenoxy)acetic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)N2CCC(SC3=CC=CC=C32)C

InChI

InChI=1S/C22H25NO5S/c1-3-26-17-8-10-18(11-9-17)27-15-22(25)28-14-21(24)23-13-12-16(2)29-20-7-5-4-6-19(20)23/h4-11,16H,3,12-15H2,1-2H3