octyl (2S)-2-(methoxycarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: octyl (2S)-2-(methoxycarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: octyl (2S)-2-(methoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(methoxycarbonylamino)-4-(methylthio)butanoic acid octyl ester IUPAC Name: octyl (2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(carbomethoxyamino)-4-(methylthio)butyric acid octyl ester Formula: C15H29NO4S MolecularWeight: 319.46006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CCSC)NC(=O)OC

Isomeric SMILES

CCCCCCCCOC(=O)[C@H](CCSC)NC(=O)OC

InChI

InChI=1S/C15H29NO4S/c1-4-5-6-7-8-9-11-20-14(17)13(10-12-21-3)16-15(18)19-2/h13H,4-12H2,1-3H3,(H,16,18)/t13-/m0/s1