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

Systemtic Name: methyl 2-[(2-azanyl-5-chloranyl-phenyl)-cyclohexyl-methyl]sulfanylethanoate Openeye Name: methyl 2-[(2-amino-5-chloro-phenyl)-cyclohexyl-methyl]sulfanylacetate CAS Name: 2-[[(2-amino-5-chlorophenyl)-cyclohexylmethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-amino-5-chlorophenyl)-cyclohexylmethyl]sulfanylacetate Traditional Name: 2-[[(2-amino-5-chloro-phenyl)-cyclohexyl-methyl]thio]acetic acid methyl ester Formula: C16H22ClNO2S MolecularWeight: 327.86938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(C1CCCCC1)C2=C(C=CC(=C2)Cl)N

Isomeric SMILES

COC(=O)CSC(C1CCCCC1)C2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C16H22ClNO2S/c1-20-15(19)10-21-16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)18/h7-9,11,16H,2-6,10,18H2,1H3