[4-(2-cyanothiophen-3-yl)phenyl] (E)-hept-2-enoate

Systemtic Name: [4-(2-cyanothiophen-3-yl)phenyl] (E)-hept-2-enoate Openeye Name: [4-(2-cyano-3-thienyl)phenyl] (E)-hept-2-enoate CAS Name: (E)-2-heptenoic acid [4-(2-cyano-3-thiophenyl)phenyl] ester IUPAC Name: [4-(2-cyanothiophen-3-yl)phenyl] (E)-hept-2-enoate Traditional Name: (E)-hept-2-enoic acid [4-(2-cyano-3-thienyl)phenyl] ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(=O)OC1=CC=C(C=C1)C2=C(SC=C2)C#N

Isomeric SMILES

CCCC/C=C/C(=O)OC1=CC=C(C=C1)C2=C(SC=C2)C#N

InChI

InChI=1S/C18H17NO2S/c1-2-3-4-5-6-18(20)21-15-9-7-14(8-10-15)16-11-12-22-17(16)13-19/h5-12H,2-4H2,1H3/b6-5+