[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [(1R)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OC(C)C(=O)NC(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)O[C@H](C)C(=O)NC(=O)N)C

InChI

InChI=1S/C15H20N2O4S/c1-9-4-5-12(8-10(9)2)22-7-6-13(18)21-11(3)14(19)17-15(16)20/h4-5,8,11H,6-7H2,1-3H3,(H3,16,17,19,20)/t11-/m1/s1