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

Systemtic Name: 4-methylpentyl 2-(butoxycarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: isohexyl 2-(butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[butoxy(oxo)methyl]amino]-4-(methylthio)butanoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 2-(butoxycarbonylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(butoxycarbonylamino)-4-(methylthio)butyric acid isohexyl ester Formula: C16H31NO4S MolecularWeight: 333.48664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31NO4S/c1-5-6-10-21-16(19)17-14(9-12-22-4)15(18)20-11-7-8-13(2)3/h13-14H,5-12H2,1-4H3,(H,17,19)