5-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[(2-amino-3-hydroxy-3-oxo-propyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[[(2-amino-3-hydroxy-3-oxopropyl)thio]methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[(2-amino-3-hydroxy-3-oxopropyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[[(2-amino-3-hydroxy-3-keto-propyl)thio]methyl]-2-methyl-3-furoic acid Formula: C10H13NO5S MolecularWeight: 259.27892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCC(C(=O)O)N)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSCC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C10H13NO5S/c1-5-7(9(12)13)2-6(16-5)3-17-4-8(11)10(14)15/h2,8H,3-4,11H2,1H3,(H,12,13)(H,14,15)