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

Systemtic Name: [4-(5-pentyl-1,3-thiazol-2-yl)phenyl] (E)-but-2-enoate Openeye Name: [4-(5-pentylthiazol-2-yl)phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [4-(5-pentyl-2-thiazolyl)phenyl] ester IUPAC Name: [4-(5-pentyl-1,3-thiazol-2-yl)phenyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [4-(5-amylthiazol-2-yl)phenyl] ester Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(S1)C2=CC=C(C=C2)OC(=O)C=CC

Isomeric SMILES

CCCCCC1=CN=C(S1)C2=CC=C(C=C2)OC(=O)/C=C/C

InChI

InChI=1S/C18H21NO2S/c1-3-5-6-8-16-13-19-18(22-16)14-9-11-15(12-10-14)21-17(20)7-4-2/h4,7,9-13H,3,5-6,8H2,1-2H3/b7-4+