[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CCC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)CCC(=O)C1=CC=C(C=C1)SC

InChI

InChI=1S/C17H22N2O5S/c1-10(2)15(16(22)19-17(18)23)24-14(21)9-8-13(20)11-4-6-12(25-3)7-5-11/h4-7,10,15H,8-9H2,1-3H3,(H3,18,19,22,23)/t15-/m1/s1