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

Systemtic Name: methyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(pivaloylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3S2/c1-15(2,3)12(20)17-13(22)18-14-16-9-6-5-8(11(19)21-4)7-10(9)23-14/h5-7H,1-4H3,(H2,16,17,18,20,22)