(E)-3-(4-methylsulfanylphenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-methylsulfanylphenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(4-methylsulfanylphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-en-1-one CAS Name: (E)-3-[4-(methylthio)phenyl]-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methylsulfanylphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one Traditional Name: (E)-1-[4-(2-keto-2-pyrrolidino-ethoxy)phenyl]-3-[4-(methylthio)phenyl]prop-2-en-1-one Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OCC(=O)N3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OCC(=O)N3CCCC3

InChI

InChI=1S/C22H23NO3S/c1-27-20-11-4-17(5-12-20)6-13-21(24)18-7-9-19(10-8-18)26-16-22(25)23-14-2-3-15-23/h4-13H,2-3,14-16H2,1H3/b13-6+