methyl 3-azanyl-4-chloranyl-2-[2-(2,2-dimethylpropanoyloxy)-1-methylsulfanyl-ethyl]benzoate

Systemtic Name: methyl 3-azanyl-4-chloranyl-2-[2-(2,2-dimethylpropanoyloxy)-1-methylsulfanyl-ethyl]benzoate Openeye Name: methyl 3-amino-4-chloro-2-[2-(2,2-dimethylpropanoyloxy)-1-methylsulfanyl-ethyl]benzoate CAS Name: 3-amino-4-chloro-2-[2-(2,2-dimethyl-1-oxopropoxy)-1-(methylthio)ethyl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-chloro-2-[2-(2,2-dimethylpropanoyloxy)-1-methylsulfanylethyl]benzoate Traditional Name: 3-amino-4-chloro-2-[1-(methylthio)-2-pivaloyloxy-ethyl]benzoic acid methyl ester Formula: C16H22ClNO4S MolecularWeight: 359.86818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(C1=C(C=CC(=C1N)Cl)C(=O)OC)SC

Isomeric SMILES

CC(C)(C)C(=O)OCC(C1=C(C=CC(=C1N)Cl)C(=O)OC)SC

InChI

InChI=1S/C16H22ClNO4S/c1-16(2,3)15(20)22-8-11(23-5)12-9(14(19)21-4)6-7-10(17)13(12)18/h6-7,11H,8,18H2,1-5H3