methyl 2-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2-ethyl-5-methyl-pyrazole-3-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethyl-5-methylpyrazole-3-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-ethyl-5-methyl-pyrazole-3-carbonyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC#C

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC#C

InChI

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