methyl 2-[4-[C-methyl-N-(2-thiophen-2-ylethyl)carbonimidoyl]-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-[C-methyl-N-(2-thiophen-2-ylethyl)carbonimidoyl]-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[4-[C-methyl-N-[2-(2-thienyl)ethyl]carbonimidoyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetate CAS Name: 2-[5-oxo-1-phenyl-4-[1-(2-thiophen-2-ylethylimino)ethyl]-4H-pyrazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[C-methyl-N-(2-thiophen-2-ylethyl)carbonimidoyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetate Traditional Name: 2-[5-keto-4-[C-methyl-N-[2-(2-thienyl)ethyl]carbonimidoyl]-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCC1=CC=CS1)C2C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CC(=NCCC1=CC=CS1)C2C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C20H21N3O3S/c1-14(21-11-10-16-9-6-12-27-16)19-17(13-18(24)26-2)22-23(20(19)25)15-7-4-3-5-8-15/h3-9,12,19H,10-11,13H2,1-2H3