ethyl 2-[[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)N/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O3S/c1-5-28-22(27)19-16(11-14(2)3)13-29-20(19)23-12-18-15(4)24-25(21(18)26)17-9-7-6-8-10-17/h6-10,12-14,23H,5,11H2,1-4H3/b18-12-