[2-[[(2R)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[[(2R)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[[(1R)-1-methoxycarbonyl-3-methyl-butyl]amino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[[(1R)-1-carbomethoxy-3-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)COC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)COC(=O)C1=CC=C(C=C1)SC

InChI

InChI=1S/C17H23NO5S/c1-11(2)9-14(17(21)22-3)18-15(19)10-23-16(20)12-5-7-13(24-4)8-6-12/h5-8,11,14H,9-10H2,1-4H3,(H,18,19)/t14-/m1/s1