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

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

C1CC1NC(=O)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C15H17N3O3S/c19-13-5-6-22-12-4-1-9(7-11(12)18-13)15(21)16-8-14(20)17-10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,16,21)(H,17,20)(H,18,19)