[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C(=CC1=CC=C(C=C1)C)C#N

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)/C(=C/C1=CC=C(C=C1)C)/C#N

InChI

InChI=1S/C16H18N2O3/c1-4-18-15(19)12(3)21-16(20)14(10-17)9-13-7-5-11(2)6-8-13/h5-9,12H,4H2,1-3H3,(H,18,19)/b14-9+/t12-/m0/s1