[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C22H24N2O3S/c1-28-20-11-4-17(5-12-20)6-13-22(26)27-16-21(25)23-18-7-9-19(10-8-18)24-14-2-3-15-24/h4-13H,2-3,14-16H2,1H3,(H,23,25)/b13-6+