[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO4S/c1-12(13-5-4-6-14(20)9-13)21-18(22)11-25-19(23)16-8-7-15(26-3)10-17(16)24-2/h4-10,12H,11H2,1-3H3,(H,21,22)/t12-/m1/s1