octyl (2S)-4-methylsulfanyl-2-(prop-2-enoxycarbonylamino)butanoate

Systemtic Name: octyl (2S)-4-methylsulfanyl-2-(prop-2-enoxycarbonylamino)butanoate Openeye Name: octyl (2S)-2-(allyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo(prop-2-enoxy)methyl]amino]butanoic acid octyl ester IUPAC Name: octyl (2S)-4-methylsulfanyl-2-(prop-2-enoxycarbonylamino)butanoate Traditional Name: (2S)-2-(allyloxycarbonylamino)-4-(methylthio)butyric acid octyl ester Formula: C17H31NO4S MolecularWeight: 345.49734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31NO4S/c1-4-6-7-8-9-10-13-21-16(19)15(11-14-23-3)18-17(20)22-12-5-2/h5,15H,2,4,6-14H2,1,3H3,(H,18,20)/t15-/m0/s1