[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C(=CC1=CC=C(C=C1)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c1-4-13(3)20-18(24)21-16(22)11-25-17(23)15(10-19)9-14-7-5-12(2)6-8-14/h5-9,13H,4,11H2,1-3H3,(H2,20,21,22,24)/b15-9+/t13-/m0/s1