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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C18H26N2O2S/c1-3-4-5-6-7-13(2)19-18(22)14-8-9-16-15(12-14)20-17(21)10-11-23-16/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1