methyl 2-(3-azanyl-4-cyclohexyl-2-oxidanyl-butyl)sulfanylethanoate

Systemtic Name: methyl 2-(3-azanyl-4-cyclohexyl-2-oxidanyl-butyl)sulfanylethanoate Openeye Name: methyl 2-(3-amino-4-cyclohexyl-2-hydroxy-butyl)sulfanylacetate CAS Name: 2-[(3-amino-4-cyclohexyl-2-hydroxybutyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-amino-4-cyclohexyl-2-hydroxybutyl)sulfanylacetate Traditional Name: 2-[(3-amino-4-cyclohexyl-2-hydroxy-butyl)thio]acetic acid methyl ester Formula: C13H25NO3S MolecularWeight: 275.4075

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(C(CC1CCCCC1)N)O

Isomeric SMILES

COC(=O)CSCC(C(CC1CCCCC1)N)O

InChI

InChI=1S/C13H25NO3S/c1-17-13(16)9-18-8-12(15)11(14)7-10-5-3-2-4-6-10/h10-12,15H,2-9,14H2,1H3