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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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