ethyl (E)-3-[4-(2-butylsulfanylethanoylamino)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-(2-butylsulfanylethanoylamino)phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(2-butylsulfanylacetyl)amino]phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[[2-(butylthio)-1-oxoethyl]amino]phenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(2-butylsulfanylacetyl)amino]phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[[2-(butylthio)acetyl]amino]phenyl]-2-cyano-acrylic acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1=CC=C(C=C1)C=C(C#N)C(=O)OCC

Isomeric SMILES

CCCCSCC(=O)NC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C18H22N2O3S/c1-3-5-10-24-13-17(21)20-16-8-6-14(7-9-16)11-15(12-19)18(22)23-4-2/h6-9,11H,3-5,10,13H2,1-2H3,(H,20,21)/b15-11+