N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxidanylidene-butanamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxidanylidene-butanamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-butanamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxobutanamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxobutanamide Traditional Name: 3-keto-N-(2-methyl-1,3-benzothiazol-6-yl)butyramide Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC(=O)C

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC(=O)C

InChI

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