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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-11(2)18-17(22)19-15(20)10-23-16(21)7-8-24-14-6-5-12(3)13(4)9-14/h5-6,9,11H,7-8,10H2,1-4H3,(H2,18,19,20,22)