thiophen-2-ylmethyl 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate

Systemtic Name: thiophen-2-ylmethyl 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate Openeye Name: 2-thienylmethyl 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoate CAS Name: 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propanoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate Traditional Name: 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propionic acid 2-thenyl ester Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)NCCC(=O)OCC1=CC=CS1)O

Isomeric SMILES

CC(C)(CO)C(C(=O)NCCC(=O)OCC1=CC=CS1)O

InChI

InChI=1S/C14H21NO5S/c1-14(2,9-16)12(18)13(19)15-6-5-11(17)20-8-10-4-3-7-21-10/h3-4,7,12,16,18H,5-6,8-9H2,1-2H3,(H,15,19)