2-phenoxyethyl (E)-2-cyano-3-[(4-fluorophenyl)methylamino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: 2-phenoxyethyl (E)-2-cyano-3-[(4-fluorophenyl)methylamino]-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-phenoxyethyl (E)-2-cyano-3-[(4-fluorophenyl)methylamino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[(4-fluorophenyl)methylamino]-3-(methylthio)-2-propenoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (E)-2-cyano-3-[(4-fluorophenyl)methylamino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[(4-fluorobenzyl)amino]-3-(methylthio)acrylic acid 2-phenoxyethyl ester Formula: C20H19FN2O3S MolecularWeight: 386.439863

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)OCCOC1=CC=CC=C1)NCC2=CC=C(C=C2)F

Isomeric SMILES

CS/C(=C(\C#N)/C(=O)OCCOC1=CC=CC=C1)/NCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H19FN2O3S/c1-27-19(23-14-15-7-9-16(21)10-8-15)18(13-22)20(24)26-12-11-25-17-5-3-2-4-6-17/h2-10,23H,11-12,14H2,1H3/b19-18+