[(3R)-2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] 2-(4-methylpiperazin-1-yl)ethanoate

Systemtic Name: [(3R)-2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] 2-(4-methylpiperazin-1-yl)ethanoate Openeye Name: [(3R)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] 2-(4-methylpiperazin-1-yl)acetate CAS Name: 2-(4-methyl-1-piperazinyl)acetic acid [(3R)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(3R)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] 2-(4-methylpiperazin-1-yl)acetate Traditional Name: 2-(4-methylpiperazino)acetic acid [(3R)-4-keto-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)OC2C(SC3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCN(CC1)CC(=O)O[C@H]2C(SC3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O4S/c1-25-11-13-26(14-12-25)15-20(27)30-21-22(16-7-9-17(29-2)10-8-16)31-19-6-4-3-5-18(19)24-23(21)28/h3-10,21-22H,11-15H2,1-2H3,(H,24,28)/t21-,22?/m0/s1