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

Systemtic Name: [2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-[[2-(methylamino)-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-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(methylamino)-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-keto-2-[[2-keto-2-(methylamino)ethyl]amino]ethyl] ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5S/c1-16-13(20)7-17-14(21)8-23-15(22)9-2-3-11-10(6-9)18-12(19)4-5-24-11/h2-3,6H,4-5,7-8H2,1H3,(H,16,20)(H,17,21)(H,18,19)