[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-propoxyphenyl)-2-propenoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)acrylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C25H31NO5S MolecularWeight: 457.58234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NCCSC2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCCSC2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C25H31NO5S/c1-4-15-30-22-12-8-20(17-23(22)29-5-2)9-13-25(28)31-18-24(27)26-14-16-32-21-10-6-19(3)7-11-21/h6-13,17H,4-5,14-16,18H2,1-3H3,(H,26,27)/b13-9+