methyl 4-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[(1R)-1-methoxycarbonyl-3-methylsulfanyl-propyl]carbamoyl]benzoate CAS Name: 4-[[[(2R)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]benzoate Traditional Name: 4-[[(1R)-1-carbomethoxy-3-(methylthio)propyl]carbamoyl]benzoic acid methyl ester Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C15H19NO5S/c1-20-14(18)11-6-4-10(5-7-11)13(17)16-12(8-9-22-3)15(19)21-2/h4-7,12H,8-9H2,1-3H3,(H,16,17)/t12-/m1/s1