[5-[1-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [5-[1-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [5-[1-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [5-[1-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-[1-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [5-[1-(dimethylamino)ethyl]-4-keto-2-(4-methoxyphenyl)-1,5-benzothiazepin-3-yl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=CC=CC=C2SC(=C(C1=O)OC(=O)C)C3=CC=C(C=C3)OC)N(C)C

Isomeric SMILES

CC(N1C2=CC=CC=C2SC(=C(C1=O)OC(=O)C)C3=CC=C(C=C3)OC)N(C)C

InChI

InChI=1S/C22H24N2O4S/c1-14(23(3)4)24-18-8-6-7-9-19(18)29-21(20(22(24)26)28-15(2)25)16-10-12-17(27-5)13-11-16/h6-14H,1-5H3