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

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-propenoic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acrylic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)OC(C)C(=O)NCC=C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)O[C@@H](C)C(=O)NCC=C)OC

InChI

InChI=1S/C18H22ClNO5/c1-5-9-20-18(22)12(3)25-16(21)8-7-13-10-14(19)17(24-6-2)15(11-13)23-4/h5,7-8,10-12H,1,6,9H2,2-4H3,(H,20,22)/b8-7+/t12-/m0/s1