ethyl 5-ethanoyl-4-methyl-2-[[(5E)-5-(5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[[(5E)-5-(5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[(5E)-5-(5-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carbonyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[[(5E)-5-(5-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-3-yl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[(5E)-5-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[(5E)-5-(6-keto-5-methyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carbonyl]amino]-4-methyl-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=CC(=C3C=CC=C(C3=O)C)NN2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=C/C(=C\3/C=CC=C(C3=O)C)/NN2

InChI

InChI=1S/C21H21N3O5S/c1-5-29-21(28)16-11(3)18(12(4)25)30-20(16)22-19(27)15-9-14(23-24-15)13-8-6-7-10(2)17(13)26/h6-9,23-24H,5H2,1-4H3,(H,22,27)/b14-13+