[2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-[[(1R)-1-methylpropyl]amino]ethyl] ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-5-10(2)16-14(17)9-20-15(18)12-7-6-11(21-4)8-13(12)19-3/h6-8,10H,5,9H2,1-4H3,(H,16,17)/t10-/m1/s1