methyl (Z)-3-tert-butylsulfanyl-3-[(4-ethylphenyl)amino]-2-(trifluoromethyl)prop-2-enoate

Systemtic Name: methyl (Z)-3-tert-butylsulfanyl-3-[(4-ethylphenyl)amino]-2-(trifluoromethyl)prop-2-enoate Openeye Name: methyl (Z)-3-tert-butylsulfanyl-3-(4-ethylanilino)-2-(trifluoromethyl)prop-2-enoate CAS Name: (Z)-3-(tert-butylthio)-3-(4-ethylanilino)-2-(trifluoromethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-tert-butylsulfanyl-3-(4-ethylanilino)-2-(trifluoromethyl)prop-2-enoate Traditional Name: (Z)-3-(tert-butylthio)-3-(4-ethylanilino)-2-(trifluoromethyl)acrylic acid methyl ester Formula: C17H22F3NO2S MolecularWeight: 361.42229

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=C(C(=O)OC)C(F)(F)F)SC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N/C(=C(\C(=O)OC)/C(F)(F)F)/SC(C)(C)C

InChI

InChI=1S/C17H22F3NO2S/c1-6-11-7-9-12(10-8-11)21-14(24-16(2,3)4)13(15(22)23-5)17(18,19)20/h7-10,21H,6H2,1-5H3/b14-13-