[4-[4-(5-octyl-1,3-thiazol-2-yl)phenyl]phenyl] (E)-but-2-enoate

Systemtic Name: [4-[4-(5-octyl-1,3-thiazol-2-yl)phenyl]phenyl] (E)-but-2-enoate Openeye Name: [4-[4-(5-octylthiazol-2-yl)phenyl]phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [4-[4-(5-octyl-2-thiazolyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-octyl-1,3-thiazol-2-yl)phenyl]phenyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [4-[4-(5-octylthiazol-2-yl)phenyl]phenyl] ester Formula: C27H31NO2S MolecularWeight: 433.60554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C=CC

Isomeric SMILES

CCCCCCCCC1=CN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)/C=C/C

InChI

InChI=1S/C27H31NO2S/c1-3-5-6-7-8-9-11-25-20-28-27(31-25)23-14-12-21(13-15-23)22-16-18-24(19-17-22)30-26(29)10-4-2/h4,10,12-20H,3,5-9,11H2,1-2H3/b10-4+