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

Systemtic Name: [7-chloranyl-5-[3-(dimethylamino)propyl]-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [7-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [7-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [7-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [7-chloro-5-[3-(dimethylamino)propyl]-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3S/c1-15(26)28-20-21(16-8-5-4-6-9-16)29-19-11-10-17(23)14-18(19)25(22(20)27)13-7-12-24(2)3/h4-6,8-11,14,20-21H,7,12-13H2,1-3H3