N'-[2-(4-ethylphenoxy)ethanoyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide

Systemtic Name: N'-[2-(4-ethylphenoxy)ethanoyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-[2-(4-ethylphenoxy)acetyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[2-(4-ethylphenoxy)-1-oxoethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-[2-(4-ethylphenoxy)acetyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: N'-[2-(4-ethylphenoxy)acetyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H21N3O4S/c1-2-13-3-6-15(7-4-13)27-12-19(25)22-23-20(26)14-5-8-17-16(11-14)21-18(24)9-10-28-17/h3-8,11H,2,9-10,12H2,1H3,(H,21,24)(H,22,25)(H,23,26)