[2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]amino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-keto-2-[[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]amino]ethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)COC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-4-9-17-15(20)11(2)18-14(19)10-22-16(21)12-5-7-13(23-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1