[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)SC

InChI

InChI=1S/C17H22N2O5S/c1-11(2)18-17(23)19-15(21)10-24-16(22)9-8-14(20)12-4-6-13(25-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H2,18,19,21,23)