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

Systemtic Name: methyl 4-methylsulfanyl-2-[(5-oxidanyl-2-propan-2-yl-phenyl)carbonylamino]butanoate Openeye Name: methyl 2-[(5-hydroxy-2-isopropyl-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(5-hydroxy-2-propan-2-ylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(5-hydroxy-2-propan-2-ylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(5-hydroxy-2-isopropyl-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4S/c1-10(2)12-6-5-11(18)9-13(12)15(19)17-14(7-8-22-4)16(20)21-3/h5-6,9-10,14,18H,7-8H2,1-4H3,(H,17,19)