[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21ClN2O4S MolecularWeight: 372.86694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O4S/c1-16(2,3)19-15(22)18-13(20)10-23-14(21)8-9-24-12-6-4-11(17)5-7-12/h4-7H,8-10H2,1-3H3,(H2,18,19,20,22)