methyl 2-(3-oxidanylidenebutanoylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(3-oxidanylidenebutanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3-oxobutanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1,3-dioxobutylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-oxobutanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(acetoacetylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H12N2O4S/c1-7(16)5-11(17)15-13-14-9-4-3-8(12(18)19-2)6-10(9)20-13/h3-4,6H,5H2,1-2H3,(H,14,15,17)