[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C22H23NO4S/c1-3-4-21(25)23-18-10-8-17(9-11-18)20(24)15-27-22(26)14-7-16-5-12-19(28-2)13-6-16/h5-14H,3-4,15H2,1-2H3,(H,23,25)/b14-7+