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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(m-tolyl)prop-2-enoate CAS Name: (E)-3-(3-methylphenyl)-2-propenoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(m-tolyl)acrylic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)OC(C)C(=O)NC(=O)NC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C

InChI

InChI=1S/C17H22N2O4/c1-11(2)18-17(22)19-16(21)13(4)23-15(20)9-8-14-7-5-6-12(3)10-14/h5-11,13H,1-4H3,(H2,18,19,21,22)/b9-8+/t13-/m0/s1