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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)CSC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)CSC1=CC(=C(C=C1)C)C

InChI

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