methyl (Z)-3-(diethylamino)-3-(phenylmethylsulfanyl)-2-(trifluoromethyl)prop-2-enoate

Systemtic Name: methyl (Z)-3-(diethylamino)-3-(phenylmethylsulfanyl)-2-(trifluoromethyl)prop-2-enoate Openeye Name: methyl (Z)-3-benzylsulfanyl-3-(diethylamino)-2-(trifluoromethyl)prop-2-enoate CAS Name: (Z)-3-(diethylamino)-3-(phenylmethylthio)-2-(trifluoromethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-benzylsulfanyl-3-(diethylamino)-2-(trifluoromethyl)prop-2-enoate Traditional Name: (Z)-3-(benzylthio)-3-(diethylamino)-2-(trifluoromethyl)acrylic acid methyl ester Formula: C16H20F3NO2S MolecularWeight: 347.39571

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=C(C(=O)OC)C(F)(F)F)SCC1=CC=CC=C1

Isomeric SMILES

CCN(CC)/C(=C(\C(=O)OC)/C(F)(F)F)/SCC1=CC=CC=C1

InChI

InChI=1S/C16H20F3NO2S/c1-4-20(5-2)14(13(15(21)22-3)16(17,18)19)23-11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3/b14-13-