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

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4/c1-5-20-18(25)21-16(23)12(2)26-17(24)14(11-19)10-13-6-8-15(9-7-13)22(3)4/h6-10,12H,5H2,1-4H3,(H2,20,21,23,25)/b14-10+/t12-/m0/s1