[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C=CC1=C(N(N=C1C)C2=CC=CC=C2)Cl

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)/C=C/C1=C(N(N=C1C)C2=CC=CC=C2)Cl

InChI

InChI=1S/C18H20ClN3O3/c1-4-20-18(24)13(3)25-16(23)11-10-15-12(2)21-22(17(15)19)14-8-6-5-7-9-14/h5-11,13H,4H2,1-3H3,(H,20,24)/b11-10+/t13-/m0/s1