N'-[(2S)-2-(2-fluoranylphenoxy)propanoyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide

Systemtic Name: N'-[(2S)-2-(2-fluoranylphenoxy)propanoyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[(2S)-2-(2-fluorophenoxy)-1-oxopropyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C19H18FN3O4S MolecularWeight: 403.427323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)OC3=CC=CC=C3F

Isomeric SMILES

C[C@@H](C(=O)NNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)OC3=CC=CC=C3F

InChI

InChI=1S/C19H18FN3O4S/c1-11(27-15-5-3-2-4-13(15)20)18(25)22-23-19(26)12-6-7-16-14(10-12)21-17(24)8-9-28-16/h2-7,10-11H,8-9H2,1H3,(H,21,24)(H,22,25)(H,23,26)/t11-/m0/s1