[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)NC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C21H25NO4S/c1-5-15-6-8-16(9-7-15)14(2)22-20(23)13-26-21(24)18-11-10-17(27-4)12-19(18)25-3/h6-12,14H,5,13H2,1-4H3,(H,22,23)/t14-/m0/s1