[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[[(1R)-1-(2-furanyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[[(1R)-1-(2-furyl)ethyl]amino]-2-keto-ethyl] ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)NC(=O)COC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](C1=CC=CO1)NC(=O)COC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C16H17NO4S/c1-11(14-4-3-9-20-14)17-15(18)10-21-16(19)12-5-7-13(22-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,17,18)/t11-/m1/s1