[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: [2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic acid [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyric acid [2-keto-2-[methyl(2-thenyl)amino]ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)COC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)COC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-23(14-17-8-5-13-29-17)20(26)15-28-21(27)10-9-19(25)24-12-11-18(22-24)16-6-3-2-4-7-16/h2-8,13H,9-12,14-15H2,1H3