[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] (E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-2-propenoic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)acrylic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C19H25ClN2O6 MolecularWeight: 412.8646

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)OC(C)C(=O)NC(=O)NC)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)O[C@@H](C)C(=O)NC(=O)NC)OCC

InChI

InChI=1S/C19H25ClN2O6/c1-5-9-27-17-14(20)10-13(11-15(17)26-6-2)7-8-16(23)28-12(3)18(24)22-19(25)21-4/h7-8,10-12H,5-6,9H2,1-4H3,(H2,21,22,24,25)/b8-7+/t12-/m0/s1