[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H23ClN2O4S MolecularWeight: 386.89352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)CCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)CCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C17H23ClN2O4S/c1-17(2,3)20-16(23)19-14(21)11-24-15(22)5-4-10-25-13-8-6-12(18)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H2,19,20,21,23)