methyl 2-(phenylsulfanylmethyl)-1,3-benzoxazole-5-carboxylate

Systemtic Name: methyl 2-(phenylsulfanylmethyl)-1,3-benzoxazole-5-carboxylate Openeye Name: methyl 2-(phenylsulfanylmethyl)-1,3-benzoxazole-5-carboxylate CAS Name: 2-[(phenylthio)methyl]-1,3-benzoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(phenylsulfanylmethyl)-1,3-benzoxazole-5-carboxylate Traditional Name: 2-[(phenylthio)methyl]-1,3-benzoxazole-5-carboxylic acid methyl ester Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=N2)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC(=N2)CSC3=CC=CC=C3

InChI

InChI=1S/C16H13NO3S/c1-19-16(18)11-7-8-14-13(9-11)17-15(20-14)10-21-12-5-3-2-4-6-12/h2-9H,10H2,1H3