[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C21H23NO4S/c1-2-6-20(24)22-17-11-9-16(10-12-17)19(23)15-26-21(25)13-14-27-18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-15H2,1H3,(H,22,24)