[4-[(Z)-(5-pentyl-1,3-thiazol-2-yl)iminomethyl]phenyl] 4-hexylbenzoate

Systemtic Name: [4-[(Z)-(5-pentyl-1,3-thiazol-2-yl)iminomethyl]phenyl] 4-hexylbenzoate Openeye Name: [4-[(Z)-(5-pentylthiazol-2-yl)iminomethyl]phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[(Z)-(5-pentyl-2-thiazolyl)iminomethyl]phenyl] ester IUPAC Name: [4-[(Z)-(5-pentyl-1,3-thiazol-2-yl)iminomethyl]phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-[(Z)-(5-amylthiazol-2-yl)iminomethyl]phenyl] ester Formula: C28H34N2O2S MolecularWeight: 462.64676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NC3=NC=C(S3)CCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N\C3=NC=C(S3)CCCCC

InChI

InChI=1S/C28H34N2O2S/c1-3-5-7-9-10-22-12-16-24(17-13-22)27(31)32-25-18-14-23(15-19-25)20-29-28-30-21-26(33-28)11-8-6-4-2/h12-21H,3-11H2,1-2H3/b29-20-