[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C16H10F6N2O4S MolecularWeight: 440.317019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1C(=O)N)NC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1C(=O)N)NC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H10F6N2O4S/c17-15(18,19)8-3-7(4-9(5-8)16(20,21)22)14(27)28-6-11(25)24-13-10(12(23)26)1-2-29-13/h1-5H,6H2,(H2,23,26)(H,24,25)