ethyl 4-methyl-2-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]-5-propyl-thiophene-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(S1)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C)C(=O)OCC)C

Isomeric SMILES

CCCC1=C(C(=C(S1)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C)C(=O)OCC)C

InChI

InChI=1S/C22H25N3O3S/c1-5-10-18-14(3)19(22(27)28-6-2)20(29-18)23-13-17-15(4)24-25(21(17)26)16-11-8-7-9-12-16/h7-9,11-13,23H,5-6,10H2,1-4H3