[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(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-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2=CC=CC=C2SC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)NC(=O)COC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C20H23NO3S/c1-4-15-9-11-16(12-10-15)14(2)21-19(22)13-24-20(23)17-7-5-6-8-18(17)25-3/h5-12,14H,4,13H2,1-3H3,(H,21,22)/t14-/m0/s1