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

Systemtic Name: N'-[2-(4-ethoxyphenoxy)propanoyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-[2-(4-ethoxyphenoxy)propanoyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[2-(4-ethoxyphenoxy)-1-oxopropyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-[2-(4-ethoxyphenoxy)propanoyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: N'-[2-(4-ethoxyphenoxy)propanoyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC(C)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCOC1=CC=C(C=C1)OC(C)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C21H23N3O5S/c1-3-28-15-5-7-16(8-6-15)29-13(2)20(26)23-24-21(27)14-4-9-18-17(12-14)22-19(25)10-11-30-18/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)