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

Systemtic Name: [2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-[[2-(dimethylamino)-2-oxo-ethyl]amino]-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-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(dimethylamino)-2-oxoethyl]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-[[2-(dimethylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C16H19N3O5S MolecularWeight: 365.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC(=O)COC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

CN(C)C(=O)CNC(=O)COC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C16H19N3O5S/c1-19(2)15(22)8-17-14(21)9-24-16(23)10-3-4-12-11(7-10)18-13(20)5-6-25-12/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,21)(H,18,20)