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

Systemtic Name: methyl 2-(phenylcarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-benzoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-benzoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-benzoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-benzoylimino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H14N2O3S MolecularWeight: 350.39106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C19H14N2O3S/c1-3-11-21-15-10-9-14(18(23)24-2)12-16(15)25-19(21)20-17(22)13-7-5-4-6-8-13/h1,4-10,12H,11H2,2H3