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

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[[1-(phenoxymethyl)pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[oxo-[1-(phenoxymethyl)-3-pyrazolyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S/c1-3-28-20(27)15-12(2)16(17(21)25)30-19(15)22-18(26)14-9-10-24(23-14)11-29-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H2,21,25)(H,22,26)