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

Systemtic Name: methyl 2-(3-methylbutanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3-methylbutanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylbutanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(isovalerylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-8(2)6-12(17)16-14-15-10-5-4-9(13(18)19-3)7-11(10)20-14/h4-5,7-8H,6H2,1-3H3,(H,15,16,17)