[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OCC(=O)NCCSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCCSC2=CC=C(C=C2)C

InChI

InChI=1S/C22H25NO4S/c1-3-26-19-9-6-18(7-10-19)8-13-22(25)27-16-21(24)23-14-15-28-20-11-4-17(2)5-12-20/h4-13H,3,14-16H2,1-2H3,(H,23,24)/b13-8+