[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C21H22N2O5S/c1-27-17-5-3-2-4-14(17)8-10-22-20(25)13-28-21(26)15-6-7-18-16(12-15)23-19(24)9-11-29-18/h2-7,12H,8-11,13H2,1H3,(H,22,25)(H,23,24)