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

Systemtic Name: 2-(3-methylphenoxy)ethyl (E)-2-cyano-3-methylsulfanyl-3-[(phenylmethyl)amino]prop-2-enoate Openeye Name: 2-(3-methylphenoxy)ethyl (E)-3-(benzylamino)-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-[(phenylmethyl)amino]-2-propenoic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl (E)-3-(benzylamino)-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-(benzylamino)-2-cyano-3-(methylthio)acrylic acid 2-(3-methylphenoxy)ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C(=C(NCC2=CC=CC=C2)SC)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)/C(=C(\NCC2=CC=CC=C2)/SC)/C#N

InChI

InChI=1S/C21H22N2O3S/c1-16-7-6-10-18(13-16)25-11-12-26-21(24)19(14-22)20(27-2)23-15-17-8-4-3-5-9-17/h3-10,13,23H,11-12,15H2,1-2H3/b20-19+