ethyl 5-ethyl-2-[[(E)-[3-methylidene-1-(4-methylphenyl)-5-oxidanylidene-pyrazolidin-4-ylidene]methyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[[(E)-[3-methylidene-1-(4-methylphenyl)-5-oxidanylidene-pyrazolidin-4-ylidene]methyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[(E)-[3-methylene-5-oxo-1-(p-tolyl)pyrazolidin-4-ylidene]methyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(E)-[3-methylene-1-(4-methylphenyl)-5-oxo-4-pyrazolidinylidene]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[(E)-[3-methylidene-1-(4-methylphenyl)-5-oxopyrazolidin-4-ylidene]methyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[(E)-[5-keto-3-methylene-1-(p-tolyl)pyrazolidin-4-ylidene]methyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC=C2C(=C)NN(C2=O)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)N/C=C/2\C(=C)NN(C2=O)C3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C21H23N3O3S/c1-5-16-11-17(21(26)27-6-2)19(28-16)22-12-18-14(4)23-24(20(18)25)15-9-7-13(3)8-10-15/h7-12,22-23H,4-6H2,1-3H3/b18-12+