[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C=CSC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C20H21NO3S/c1-15(2)17-10-6-7-11-18(17)21-19(22)14-24-20(23)12-13-25-16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3,(H,21,22)/b13-12+