4-methylpentyl 4-methylsulfanyl-2-(propoxycarbonylamino)butanoate

Systemtic Name: 4-methylpentyl 4-methylsulfanyl-2-(propoxycarbonylamino)butanoate Openeye Name: isohexyl 4-methylsulfanyl-2-(propoxycarbonylamino)butanoate CAS Name: 4-(methylthio)-2-[[oxo(propoxy)methyl]amino]butanoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 4-methylsulfanyl-2-(propoxycarbonylamino)butanoate Traditional Name: 4-(methylthio)-2-(propoxycarbonylamino)butyric acid isohexyl ester Formula: C15H29NO4S MolecularWeight: 319.46006

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC(CCSC)C(=O)OCCCC(C)C

Isomeric SMILES

CCCOC(=O)NC(CCSC)C(=O)OCCCC(C)C

InChI

InChI=1S/C15H29NO4S/c1-5-9-20-15(18)16-13(8-11-21-4)14(17)19-10-6-7-12(2)3/h12-13H,5-11H2,1-4H3,(H,16,18)