5-[(4-azanyl-2-methyl-phenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-azanyl-2-methyl-phenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-amino-2-methyl-phenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-amino-2-methylphenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-amino-2-methylphenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-amino-2-methyl-phenyl)thio]methyl]-2-furoic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H13NO3S/c1-8-6-9(14)2-5-12(8)18-7-10-3-4-11(17-10)13(15)16/h2-6H,7,14H2,1H3,(H,15,16)