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

Systemtic Name: methyl 2-(1,3-benzoxazol-2-yl)-2-methyl-3-(3-phenylpropanoylsulfanyl)propanoate Openeye Name: methyl 2-(1,3-benzoxazol-2-yl)-2-methyl-3-(3-phenylpropanoylsulfanyl)propanoate CAS Name: 2-(1,3-benzoxazol-2-yl)-2-methyl-3-[(1-oxo-3-phenylpropyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzoxazol-2-yl)-2-methyl-3-(3-phenylpropanoylsulfanyl)propanoate Traditional Name: 2-(1,3-benzoxazol-2-yl)-3-(hydrocinnamoylthio)-2-methyl-propionic acid methyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)CCC1=CC=CC=C1)(C2=NC3=CC=CC=C3O2)C(=O)OC

Isomeric SMILES

CC(CSC(=O)CCC1=CC=CC=C1)(C2=NC3=CC=CC=C3O2)C(=O)OC

InChI

InChI=1S/C21H21NO4S/c1-21(20(24)25-2,19-22-16-10-6-7-11-17(16)26-19)14-27-18(23)13-12-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3