[(2S)-butan-2-yl] (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-prop-2-enoate

Systemtic Name: [(2S)-butan-2-yl] (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-prop-2-enoate Openeye Name: [(1S)-1-methylpropyl] (E)-3-[5-(4-chlorophenyl)-2-furyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-(4-chlorophenyl)-2-furanyl]-2-cyano-2-propenoic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-(4-chlorophenyl)-2-furyl]-2-cyano-acrylic acid [(1S)-1-methylpropyl] ester Formula: C18H16ClNO3 MolecularWeight: 329.77754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C(=CC1=CC=C(O1)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CC[C@H](C)OC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)Cl)/C#N

InChI

InChI=1S/C18H16ClNO3/c1-3-12(2)22-18(21)14(11-20)10-16-8-9-17(23-16)13-4-6-15(19)7-5-13/h4-10,12H,3H2,1-2H3/b14-10+/t12-/m0/s1