[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-13(17-11-15(24-2)7-10-18(17)25-3)21-19(22)12-26-20(23)14-5-8-16(27-4)9-6-14/h5-11,13H,12H2,1-4H3,(H,21,22)/t13-/m1/s1