ethyl 2-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2-methyl-3-pyrazolyl)-oxomethyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-2-methylpyrazole-3-carbonyl)amino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=C(C=NN3C)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=C(C=NN3C)Cl)C

InChI

InChI=1S/C21H22ClN3O4S/c1-5-28-14-9-7-13(8-10-14)16-12(3)30-20(17(16)21(27)29-6-2)24-19(26)18-15(22)11-23-25(18)4/h7-11H,5-6H2,1-4H3,(H,24,26)