methyl 2-[1-(2-azanyl-5-chloranyl-phenyl)-3-methyl-butyl]sulfanylethanoate

Systemtic Name: methyl 2-[1-(2-azanyl-5-chloranyl-phenyl)-3-methyl-butyl]sulfanylethanoate Openeye Name: methyl 2-[1-(2-amino-5-chloro-phenyl)-3-methyl-butyl]sulfanylacetate CAS Name: 2-[[1-(2-amino-5-chlorophenyl)-3-methylbutyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-amino-5-chlorophenyl)-3-methylbutyl]sulfanylacetate Traditional Name: 2-[[1-(2-amino-5-chloro-phenyl)-3-methyl-butyl]thio]acetic acid methyl ester Formula: C14H20ClNO2S MolecularWeight: 301.8321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=C(C=CC(=C1)Cl)N)SCC(=O)OC

Isomeric SMILES

CC(C)CC(C1=C(C=CC(=C1)Cl)N)SCC(=O)OC

InChI

InChI=1S/C14H20ClNO2S/c1-9(2)6-13(19-8-14(17)18-3)11-7-10(15)4-5-12(11)16/h4-5,7,9,13H,6,8,16H2,1-3H3