ethyl 2-(1,4-dimethylpyrazol-3-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(1,4-dimethylpyrazol-3-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1,4-dimethylpyrazole-3-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(1,4-dimethyl-3-pyrazolyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,4-dimethylpyrazole-3-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,4-dimethylpyrazole-3-carbonyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C=C3C)C)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C=C3C)C)S2)CC#C

InChI

InChI=1S/C19H18N4O3S/c1-5-9-23-14-8-7-13(18(25)26-6-2)10-15(14)27-19(23)20-17(24)16-12(3)11-22(4)21-16/h1,7-8,10-11H,6,9H2,2-4H3