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

Systemtic Name: methyl 2-ethanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-acetylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-acetylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-acetylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-acetylimino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O3S/c1-4-7-16-11-6-5-10(13(18)19-3)8-12(11)20-14(16)15-9(2)17/h1,5-6,8H,7H2,2-3H3