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

Systemtic Name: octyl (2S)-2-(ethoxycarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: octyl (2S)-2-(ethoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(ethoxycarbonylamino)-4-(methylthio)butanoic acid octyl ester IUPAC Name: octyl (2S)-2-(ethoxycarbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(carbethoxyamino)-4-(methylthio)butyric acid octyl ester Formula: C16H31NO4S MolecularWeight: 333.48664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31NO4S/c1-4-6-7-8-9-10-12-21-15(18)14(11-13-22-3)17-16(19)20-5-2/h14H,4-13H2,1-3H3,(H,17,19)/t14-/m0/s1