4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid Openeye Name: 2-(benzyloxycarbonylamino)-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-3-carboxylic acid CAS Name: 4-[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-(phenylmethoxycarbonylamino)-3-thiophenecarboxylic acid IUPAC Name: 4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 2-(benzyloxycarbonylamino)-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-thenoic acid Formula: C18H14F3N3O4S MolecularWeight: 425.38167

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(F)(F)F)C2=CSC(=C2C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=CC(=N1)C(F)(F)F)C2=CSC(=C2C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H14F3N3O4S/c1-24-12(7-13(23-24)18(19,20)21)11-9-29-15(14(11)16(25)26)22-17(27)28-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,22,27)(H,25,26)