4-oxidanylidene-N'-(3,4,5-triethoxyphenyl)carbonyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide

Systemtic Name: 4-oxidanylidene-N'-(3,4,5-triethoxyphenyl)carbonyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: 4-oxo-N'-(3,4,5-triethoxybenzoyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: 4-oxo-N'-[oxo-(3,4,5-triethoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: 4-oxo-N'-(3,4,5-triethoxybenzoyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: 4-keto-N'-(3,4,5-triethoxybenzoyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C23H27N3O6S/c1-4-30-17-12-15(13-18(31-5-2)21(17)32-6-3)23(29)26-25-22(28)14-7-8-19-16(11-14)24-20(27)9-10-33-19/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)