[5-[3-(dimethylamino)propyl]-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [5-[3-(dimethylamino)propyl]-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [5-[3-(dimethylamino)propyl]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [5-[3-(dimethylamino)propyl]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-[3-(dimethylamino)propyl]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [5-[3-(dimethylamino)propyl]-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCCN(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCCN(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-16(25)27-20-21(17-10-5-4-6-11-17)28-19-13-8-7-12-18(19)24(22(20)26)15-9-14-23(2)3/h4-8,10-13,20-21H,9,14-15H2,1-3H3