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

Systemtic Name: methyl 2-(2-methylpropanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2-methylpropanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-(2-methyl-1-oxopropyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylpropanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-isobutyrylimino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-5-8-18-12-7-6-11(15(20)21-4)9-13(12)22-16(18)17-14(19)10(2)3/h1,6-7,9-10H,8H2,2-4H3