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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H21NO3S2 MolecularWeight: 387.51564

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C20H21NO3S2/c1-25-17-10-7-16(8-11-17)9-12-20(23)24-15-19(22)21-13-14-26-18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,21,22)/b12-9+