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

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-5-methyl-2-[(2-methylpyrazol-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-ethoxyphenyl)-5-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-5-methyl-2-[[(2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-5-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-5-27-15-9-7-14(8-10-15)17-13(3)29-20(18(17)21(26)28-6-2)23-19(25)16-11-12-22-24(16)4/h7-12H,5-6H2,1-4H3,(H,23,25)