[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H20BrNO4/c1-13-5-4-6-17(11-13)22-20(24)14(2)26-19(23)10-7-15-12-16(21)8-9-18(15)25-3/h4-12,14H,1-3H3,(H,22,24)/b10-7+/t14-/m0/s1