[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(N-allylanilino)-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-oxo-2-(N-prop-2-enylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-prop-2-enylanilino)ethyl] 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-(N-allylanilino)-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

C=CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C21H20N2O4S/c1-2-11-23(16-6-4-3-5-7-16)20(25)14-27-21(26)15-8-9-18-17(13-15)22-19(24)10-12-28-18/h2-9,13H,1,10-12,14H2,(H,22,24)