ethyl 4-aminocarbonyl-5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-carbamoyl-5-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-carbamoyl-5-[[2-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-5-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-carbamoyl-5-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H19F3N4O4S MolecularWeight: 444.42807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C(=CC(=N2)C(F)(F)F)C3CC3)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C(=CC(=N2)C(F)(F)F)C3CC3)C(=O)N)C

InChI

InChI=1S/C18H19F3N4O4S/c1-3-29-17(28)14-8(2)13(15(22)27)16(30-14)23-12(26)7-25-10(9-4-5-9)6-11(24-25)18(19,20)21/h6,9H,3-5,7H2,1-2H3,(H2,22,27)(H,23,26)