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

Systemtic Name: [2-[bis(prop-2-enyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(diallylamino)-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-[bis(prop-2-enyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(prop-2-enyl)amino]-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-(diallylamino)-2-keto-ethyl] ester Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C(=O)COC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

C=CCN(CC=C)C(=O)COC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C18H20N2O4S/c1-3-8-20(9-4-2)17(22)12-24-18(23)13-5-6-15-14(11-13)19-16(21)7-10-25-15/h3-6,11H,1-2,7-10,12H2,(H,19,21)