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

Systemtic Name: N'-(2-methylfuran-3-yl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-(2-methylfuran-3-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[(2-methyl-3-furanyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-(2-methylfuran-3-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: 4-keto-N'-(2-methyl-3-furoyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC1=C(C=CO1)C(=O)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C16H15N3O4S/c1-9-11(4-6-23-9)16(22)19-18-15(21)10-2-3-13-12(8-10)17-14(20)5-7-24-13/h2-4,6,8H,5,7H2,1H3,(H,17,20)(H,18,21)(H,19,22)