[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-[[(1R,2S)-1-methoxycarbonyl-2-methyl-butyl]amino]-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-[[(1R,2S)-1-carbomethoxy-2-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C18H25NO7S MolecularWeight: 399.4586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)CC

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)CC

InChI

InChI=1S/C18H25NO7S/c1-5-12(3)16(18(22)25-4)19-15(20)11-26-17(21)13-9-7-8-10-14(13)27(23,24)6-2/h7-10,12,16H,5-6,11H2,1-4H3,(H,19,20)/t12-,16+/m0/s1