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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(3-methylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(m-tolyl)prop-2-enoate CAS Name: (E)-3-(3-methylphenyl)-2-propenoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(3-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(m-tolyl)acrylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C20H21NO3S/c1-16-6-5-7-17(14-16)10-11-20(23)24-15-19(22)21-12-13-25-18-8-3-2-4-9-18/h2-11,14H,12-13,15H2,1H3,(H,21,22)/b11-10+