[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-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 [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 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 [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C15H18N2O4S/c1-3-16-14(19)9(2)21-15(20)10-4-5-12-11(8-10)17-13(18)6-7-22-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,19)(H,17,18)/t9-/m0/s1