ethyl 5-ethanoyl-4-methyl-2-[[1-(phenoxymethyl)pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[[1-(phenoxymethyl)pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[oxo-[1-(phenoxymethyl)-3-pyrazolyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5S/c1-4-28-21(27)17-13(2)18(14(3)25)30-20(17)22-19(26)16-10-11-24(23-16)12-29-15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3,(H,22,26)