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

Systemtic Name: 2-[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-3H-1,5-benzothiazepin-2-yl]ethanoate Openeye Name: 2-[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-3H-1,5-benzothiazepin-2-yl]acetate CAS Name: 2-[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-3H-1,5-benzothiazepin-2-yl]acetate IUPAC Name: 2-[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-3H-1,5-benzothiazepin-2-yl]acetate Traditional Name: 2-[5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-3H-1,5-benzothiazepin-2-yl]acetate Formula: C22H25N2O4S- MolecularWeight: 413.5099

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)CC(SC2=CC=CC=C21)(CC(=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCN1C(=O)CC(SC2=CC=CC=C21)(CC(=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O4S/c1-23(2)12-13-24-18-6-4-5-7-19(18)29-22(14-20(24)25,15-21(26)27)16-8-10-17(28-3)11-9-16/h4-11H,12-15H2,1-3H3,(H,26,27)/p-1