methyl 2-[(4-methylphenyl)sulfanyl-phenylmethoxycarbonyl-amino]-2-(trifluoromethyl)but-3-enoate

Systemtic Name: methyl 2-[(4-methylphenyl)sulfanyl-phenylmethoxycarbonyl-amino]-2-(trifluoromethyl)but-3-enoate Openeye Name: methyl 2-[benzyloxycarbonyl(p-tolylsulfanyl)amino]-2-(trifluoromethyl)but-3-enoate CAS Name: 2-[[(4-methylphenyl)thio]-phenylmethoxycarbonylamino]-2-(trifluoromethyl)-3-butenoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfanyl-phenylmethoxycarbonylamino]-2-(trifluoromethyl)but-3-enoate Traditional Name: 2-[carbobenzoxy-(p-tolylthio)amino]-2-(trifluoromethyl)but-3-enoic acid methyl ester Formula: C21H20F3NO4S MolecularWeight: 439.44801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SN(C(=O)OCC2=CC=CC=C2)C(C=C)(C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SN(C(=O)OCC2=CC=CC=C2)C(C=C)(C(=O)OC)C(F)(F)F

InChI

InChI=1S/C21H20F3NO4S/c1-4-20(18(26)28-3,21(22,23)24)25(30-17-12-10-15(2)11-13-17)19(27)29-14-16-8-6-5-7-9-16/h4-13H,1,14H2,2-3H3