[(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylic acid [(1R)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)OC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)OC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5S/c1-13(18(24)21-20(26)27-2)28-19(25)15-12-23(11-14-7-4-3-5-8-14)22-17(15)16-9-6-10-29-16/h3-10,12-13H,11H2,1-2H3,(H,21,24,26)/t13-/m1/s1