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

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2S/c1-11(2)4-5-12(3)18-17(21)13-6-7-15-14(10-13)19-16(20)8-9-22-15/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,20)/t12-/m0/s1