O2-ethyl O4-methyl 3-methyl-5-[[1-(phenoxymethyl)pyrazol-3-yl]carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[[1-(phenoxymethyl)pyrazol-3-yl]carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[oxo-[1-(phenoxymethyl)-3-pyrazolyl]methyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 3-methyl-5-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C21H21N3O6S/c1-4-29-21(27)17-13(2)16(20(26)28-3)19(31-17)22-18(25)15-10-11-24(23-15)12-30-14-8-6-5-7-9-14/h5-11H,4,12H2,1-3H3,(H,22,25)