methyl 2-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]acetate CAS Name: 2-[[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]acetate Traditional Name: 2-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]acetic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-24-16(22)10-19-18(23)14-12-21(11-13-6-3-2-4-7-13)20-17(14)15-8-5-9-25-15/h2-9,12H,10-11H2,1H3,(H,19,23)