2-phenoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(phenylmethyl)amino]prop-2-enoate

Systemtic Name: 2-phenoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(phenylmethyl)amino]prop-2-enoate Openeye Name: 2-phenoxyethyl (E)-3-(benzylamino)-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-[(phenylmethyl)amino]-2-propenoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (E)-3-(benzylamino)-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-(benzylamino)-2-cyano-3-(methylthio)acrylic acid 2-phenoxyethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-26-19(22-15-16-8-4-2-5-9-16)18(14-21)20(23)25-13-12-24-17-10-6-3-7-11-17/h2-11,22H,12-13,15H2,1H3/b19-18+