methyl 2-methoxy-5-[[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[[4-(trifluoromethoxy)phenyl]carbamothioylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[[4-(trifluoromethoxy)phenyl]carbamothioylamino]methyl]benzoate Traditional Name: 2-methoxy-5-[[[4-(trifluoromethoxy)phenyl]thiocarbamoylamino]methyl]benzoic acid methyl ester Formula: C18H17F3N2O4S MolecularWeight: 414.39879

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)OC

InChI

InChI=1S/C18H17F3N2O4S/c1-25-15-8-3-11(9-14(15)16(24)26-2)10-22-17(28)23-12-4-6-13(7-5-12)27-18(19,20)21/h3-9H,10H2,1-2H3,(H2,22,23,28)