methyl 2-(1,3-benzoxazol-2-yl)-2-methyl-3-(2-methylpropanoylsulfanyl)propanoate

Systemtic Name: methyl 2-(1,3-benzoxazol-2-yl)-2-methyl-3-(2-methylpropanoylsulfanyl)propanoate Openeye Name: methyl 2-(1,3-benzoxazol-2-yl)-2-methyl-3-(2-methylpropanoylsulfanyl)propanoate CAS Name: 2-(1,3-benzoxazol-2-yl)-2-methyl-3-[(2-methyl-1-oxopropyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzoxazol-2-yl)-2-methyl-3-(2-methylpropanoylsulfanyl)propanoate Traditional Name: 2-(1,3-benzoxazol-2-yl)-3-(isobutyrylthio)-2-methyl-propionic acid methyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCC(C)(C1=NC2=CC=CC=C2O1)C(=O)OC

Isomeric SMILES

CC(C)C(=O)SCC(C)(C1=NC2=CC=CC=C2O1)C(=O)OC

InChI

InChI=1S/C16H19NO4S/c1-10(2)13(18)22-9-16(3,15(19)20-4)14-17-11-7-5-6-8-12(11)21-14/h5-8,10H,9H2,1-4H3