methyl 2-[methyl-[(5-oxidanyl-2-propan-2-yl-phenyl)methyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[methyl-[(5-oxidanyl-2-propan-2-yl-phenyl)methyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(5-hydroxy-2-isopropyl-phenyl)methyl-methyl-amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(5-hydroxy-2-propan-2-ylphenyl)methyl-methylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(5-hydroxy-2-propan-2-ylphenyl)methyl-methylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(5-hydroxy-2-isopropyl-benzyl)-methyl-amino]-4-(methylthio)butyric acid methyl ester Formula: C17H27NO3S MolecularWeight: 325.46618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)O)CN(C)C(CCSC)C(=O)OC

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)O)CN(C)C(CCSC)C(=O)OC

InChI

InChI=1S/C17H27NO3S/c1-12(2)15-7-6-14(19)10-13(15)11-18(3)16(8-9-22-5)17(20)21-4/h6-7,10,12,16,19H,8-9,11H2,1-5H3