2-ethoxyethyl (E)-2-cyano-3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-ethoxyethyl (E)-2-cyano-3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-(methylthio)-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (E)-2-cyano-3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-(methylthio)acrylic acid 2-ethoxyethyl ester Formula: C17H21FN2O3S MolecularWeight: 352.423643

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(NC(C)C1=CC=C(C=C1)F)SC)C#N

Isomeric SMILES

CCOCCOC(=O)/C(=C(\N[C@H](C)C1=CC=C(C=C1)F)/SC)/C#N

InChI

InChI=1S/C17H21FN2O3S/c1-4-22-9-10-23-17(21)15(11-19)16(24-3)20-12(2)13-5-7-14(18)8-6-13/h5-8,12,20H,4,9-10H2,1-3H3/b16-15+/t12-/m1/s1