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

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)COC(=O)CCSC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCNC(=O)NC(=O)COC(=O)CCSC1=CC(=C(C=C1)C)C

InChI

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