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

Systemtic Name: methyl 2-[1-(4-methoxyphenyl)-4-[C-methyl-N-(2-thiophen-2-ylethyl)carbonimidoyl]-5-oxidanylidene-4H-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[1-(4-methoxyphenyl)-4-[C-methyl-N-[2-(2-thienyl)ethyl]carbonimidoyl]-5-oxo-4H-pyrazol-3-yl]acetate CAS Name: 2-[1-(4-methoxyphenyl)-5-oxo-4-[1-(2-thiophen-2-ylethylimino)ethyl]-4H-pyrazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-methoxyphenyl)-4-[C-methyl-N-(2-thiophen-2-ylethyl)carbonimidoyl]-5-oxo-4H-pyrazol-3-yl]acetate Traditional Name: 2-[5-keto-1-(4-methoxyphenyl)-4-[C-methyl-N-[2-(2-thienyl)ethyl]carbonimidoyl]-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-14(22-11-10-17-5-4-12-29-17)20-18(13-19(25)28-3)23-24(21(20)26)15-6-8-16(27-2)9-7-15/h4-9,12,20H,10-11,13H2,1-3H3