N-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidanylidene-butanamide

Systemtic Name: N-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidanylidene-butanamide Openeye Name: N-(5-methyl-1,3-benzothiazol-2-yl)-3-oxo-butanamide CAS Name: N-(5-methyl-1,3-benzothiazol-2-yl)-3-oxobutanamide IUPAC Name: N-(5-methyl-1,3-benzothiazol-2-yl)-3-oxobutanamide Traditional Name: 3-keto-N-(5-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)NC(=O)CC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)NC(=O)CC(=O)C

InChI

InChI=1S/C12H12N2O2S/c1-7-3-4-10-9(5-7)13-12(17-10)14-11(16)6-8(2)15/h3-5H,6H2,1-2H3,(H,13,14,16)