ethyl 2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]amino]-3-pentylsulfanyl-propanoate

Systemtic Name: ethyl 2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]amino]-3-pentylsulfanyl-propanoate Openeye Name: ethyl 2-[(2-tert-butoxy-1-methyl-2-oxo-ethyl)amino]-3-pentylsulfanyl-propanoate CAS Name: 2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(pentylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-pentylsulfanylpropanoate Traditional Name: 3-(amylthio)-2-[(2-tert-butoxy-2-keto-1-methyl-ethyl)amino]propionic acid ethyl ester Formula: C17H33NO4S MolecularWeight: 347.51322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCC(C(=O)OCC)NC(C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCSCC(C(=O)OCC)NC(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H33NO4S/c1-7-9-10-11-23-12-14(16(20)21-8-2)18-13(3)15(19)22-17(4,5)6/h13-14,18H,7-12H2,1-6H3