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

Systemtic Name: ethyl (E)-4-[4-(butanoylamino)phenyl]sulfanylbut-2-enoate Openeye Name: ethyl (E)-4-[4-(butanoylamino)phenyl]sulfanylbut-2-enoate CAS Name: (E)-4-[[4-(1-oxobutylamino)phenyl]thio]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[4-(butanoylamino)phenyl]sulfanylbut-2-enoate Traditional Name: (E)-4-[(4-butyramidophenyl)thio]but-2-enoic acid ethyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S/c1-3-6-15(18)17-13-8-10-14(11-9-13)21-12-5-7-16(19)20-4-2/h5,7-11H,3-4,6,12H2,1-2H3,(H,17,18)/b7-5+