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

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-[(4-fluorophenyl)methylamino]-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-ethoxyethyl (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-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (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-ethoxyethyl ester Formula: C16H19FN2O3S MolecularWeight: 338.397063

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(NCC1=CC=C(C=C1)F)SC)C#N

Isomeric SMILES

CCOCCOC(=O)/C(=C(\NCC1=CC=C(C=C1)F)/SC)/C#N

InChI

InChI=1S/C16H19FN2O3S/c1-3-21-8-9-22-16(20)14(10-18)15(23-2)19-11-12-4-6-13(17)7-5-12/h4-7,19H,3,8-9,11H2,1-2H3/b15-14+