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

Systemtic Name: ethyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(pivaloylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C16H19N3O3S2/c1-5-22-12(20)9-6-7-10-11(8-9)24-15(17-10)19-14(23)18-13(21)16(2,3)4/h6-8H,5H2,1-4H3,(H2,17,18,19,21,23)