ethyl (E)-4-[4-(pentanoylamino)phenyl]sulfanylbut-2-enoate

Systemtic Name: ethyl (E)-4-[4-(pentanoylamino)phenyl]sulfanylbut-2-enoate Openeye Name: ethyl (E)-4-[4-(pentanoylamino)phenyl]sulfanylbut-2-enoate CAS Name: (E)-4-[[4-(1-oxopentylamino)phenyl]thio]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[4-(pentanoylamino)phenyl]sulfanylbut-2-enoate Traditional Name: (E)-4-[[4-(valerylamino)phenyl]thio]but-2-enoic acid ethyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SCC=CC(=O)OCC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SC/C=C/C(=O)OCC

InChI

InChI=1S/C17H23NO3S/c1-3-5-7-16(19)18-14-9-11-15(12-10-14)22-13-6-8-17(20)21-4-2/h6,8-12H,3-5,7,13H2,1-2H3,(H,18,19)/b8-6+