5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(6-methyl-1,3-benzoxazol-2-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(6-methyl-1,3-benzoxazol-2-yl)thio]methyl]-2-furoic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C14H11NO4S/c1-8-2-4-10-12(6-8)19-14(15-10)20-7-9-3-5-11(18-9)13(16)17/h2-6H,7H2,1H3,(H,16,17)