methyl 2-butanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-butanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-butanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxobutylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-butanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-butyrylimino-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-4-6-14(19)17-16-18(9-5-2)12-8-7-11(15(20)21-3)10-13(12)22-16/h2,7-8,10H,4,6,9H2,1,3H3