methoxybenzene; 2-(4-phenyl-1,3-oxazol-2-yl)-2-sulfanyl-ethanoic acid

Systemtic Name: methoxybenzene; 2-(4-phenyl-1,3-oxazol-2-yl)-2-sulfanyl-ethanoic acid Openeye Name: anisole; 2-(4-phenyloxazol-2-yl)-2-sulfanyl-acetic acid CAS Name: 2-mercapto-2-(4-phenyl-2-oxazolyl)acetic acid; methoxybenzene IUPAC Name: anisole; 2-(4-phenyl-1,3-oxazol-2-yl)-2-sulfanylacetic acid Traditional Name: anisole; 2-mercapto-2-(4-phenyloxazol-2-yl)acetic acid Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1.C1=CC=C(C=C1)C2=COC(=N2)C(C(=O)O)S

Isomeric SMILES

COC1=CC=CC=C1.C1=CC=C(C=C1)C2=COC(=N2)C(C(=O)O)S

InChI

InChI=1S/C11H9NO3S.C7H8O/c13-11(14)9(16)10-12-8(6-15-10)7-4-2-1-3-5-7;1-8-7-5-3-2-4-6-7/h1-6,9,16H,(H,13,14);2-6H,1H3