N-[(2S)-2-ethylhexyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(2S)-2-ethylhexyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(2S)-2-ethylhexyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(2S)-2-ethylhexyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[(2S)-2-ethylhexyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C18H26N2O2S/c1-3-5-6-13(4-2)12-19-18(22)14-7-8-16-15(11-14)20-17(21)9-10-23-16/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1