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

Systemtic Name: methyl 2-[1-(2-azanyl-5-chloranyl-phenyl)-2-methyl-propyl]sulfanylethanoate Openeye Name: methyl 2-[1-(2-amino-5-chloro-phenyl)-2-methyl-propyl]sulfanylacetate CAS Name: 2-[[1-(2-amino-5-chlorophenyl)-2-methylpropyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-amino-5-chlorophenyl)-2-methylpropyl]sulfanylacetate Traditional Name: 2-[[1-(2-amino-5-chloro-phenyl)-2-methyl-propyl]thio]acetic acid methyl ester Formula: C13H18ClNO2S MolecularWeight: 287.80552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO2S/c1-8(2)13(18-7-12(16)17-3)10-6-9(14)4-5-11(10)15/h4-6,8,13H,7,15H2,1-3H3