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

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-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-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-4-12(2)20-18(24)21-16(22)11-26-17(23)14(10-19)8-13-6-5-7-15(9-13)25-3/h5-9,12H,4,11H2,1-3H3,(H2,20,21,22,24)/b14-8+/t12-/m0/s1