[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-keto-2-(3-methylbenzothiophen-2-yl)ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)C3=NN(C=C3OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)C3=NN(C=C3OC)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O4S/c1-14-16-10-6-7-11-19(16)29-21(14)17(25)13-28-22(26)20-18(27-2)12-24(23-20)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3