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

Systemtic Name: 2-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethyl]-5-phenyl-furan-3-carboxylic acid Openeye Name: 2-[(2-amino-3-hydroxy-3-oxo-propyl)sulfanylmethyl]-5-phenyl-furan-3-carboxylic acid CAS Name: 2-[[(2-amino-3-hydroxy-3-oxopropyl)thio]methyl]-5-phenyl-3-furancarboxylic acid IUPAC Name: 2-[(2-amino-3-hydroxy-3-oxopropyl)sulfanylmethyl]-5-phenylfuran-3-carboxylic acid Traditional Name: 2-[[(2-amino-3-hydroxy-3-keto-propyl)thio]methyl]-5-phenyl-3-furoic acid Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(O2)CSCC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(O2)CSCC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C15H15NO5S/c16-11(15(19)20)7-22-8-13-10(14(17)18)6-12(21-13)9-4-2-1-3-5-9/h1-6,11H,7-8,16H2,(H,17,18)(H,19,20)