[(2R)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [(1R)-2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)C=CC3=CC=C(C=C3)SC

Isomeric SMILES

C[C@H](C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)/C=C/C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H20N2O4S/c1-14(27-20(25)12-9-15-7-10-16(28-2)11-8-15)21(26)23-13-19(24)22-17-5-3-4-6-18(17)23/h3-12,14H,13H2,1-2H3,(H,22,24)/b12-9+/t14-/m1/s1