methyl 2-(2,2-dimethylpropanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2,2-dimethylpropanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,2-dimethylpropanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-(2,2-dimethyl-1-oxopropyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2-dimethylpropanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-pivaloylimino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OC)CC#C

Isomeric SMILES

CC(C)(C)C(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OC)CC#C

InChI

InChI=1S/C17H18N2O3S/c1-6-9-19-12-8-7-11(14(20)22-5)10-13(12)23-16(19)18-15(21)17(2,3)4/h1,7-8,10H,9H2,2-5H3