[(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-8-4-5-11(6-9(8)2)21-7-12(17)20-10(3)13(18)16-14(15)19/h4-6,10H,7H2,1-3H3,(H3,15,16,18,19)/t10-/m0/s1