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

Systemtic Name: [5-(2-dimethylaminoethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] 2-(4-methoxyphenyl)ethanoate Openeye Name: [5-(2-dimethylaminoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 2-(4-methoxyphenyl)acetate CAS Name: 2-(4-methoxyphenyl)acetic acid [5-(2-dimethylaminoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 2-(4-methoxyphenyl)acetate Traditional Name: 2-(4-methoxyphenyl)acetic acid [5-(2-dimethylaminoethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SCC(C1=O)OC(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SCC(C1=O)OC(=O)CC3=CC=C(C=C3)OC

InChI

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