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

Systemtic Name: ethyl 2-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O6S/c1-4-28-21(27)17-10(2)18(11(3)25)31-20(17)22-19(26)14-8-13(23-24-14)12-5-6-15-16(7-12)30-9-29-15/h5-8H,4,9H2,1-3H3,(H,22,26)(H,23,24)