methyl 4-[3-azanyl-3-sulfanylidene-2-[4-(trifluoromethyloxy)phenyl]propyl]benzoate

Systemtic Name: methyl 4-[3-azanyl-3-sulfanylidene-2-[4-(trifluoromethyloxy)phenyl]propyl]benzoate Openeye Name: methyl 4-[3-amino-3-thioxo-2-[4-(trifluoromethoxy)phenyl]propyl]benzoate CAS Name: 4-[3-amino-3-sulfanylidene-2-[4-(trifluoromethoxy)phenyl]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-amino-3-sulfanylidene-2-[4-(trifluoromethoxy)phenyl]propyl]benzoate Traditional Name: 4-[3-amino-3-thioxo-2-[4-(trifluoromethoxy)phenyl]propyl]benzoic acid methyl ester Formula: C18H16F3NO3S MolecularWeight: 383.38475

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC(C2=CC=C(C=C2)OC(F)(F)F)C(=S)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC(C2=CC=C(C=C2)OC(F)(F)F)C(=S)N

InChI

InChI=1S/C18H16F3NO3S/c1-24-17(23)13-4-2-11(3-5-13)10-15(16(22)26)12-6-8-14(9-7-12)25-18(19,20)21/h2-9,15H,10H2,1H3,(H2,22,26)