[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H17ClN2O3S/c1-12-8-9-16(26-12)15(23)11-25-19(24)17-13(2)21-22(18(17)20)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3