[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NC(=O)NC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NC(=O)NC(C)C)C

InChI

InChI=1S/C16H22N2O4S/c1-10(2)17-16(21)18-14(19)8-22-15(20)9-23-13-6-5-11(3)12(4)7-13/h5-7,10H,8-9H2,1-4H3,(H2,17,18,19,21)