2-(2-oxidanylidene-2-sulfanyl-ethyl)-1,3-benzoxazole-5-carboxylic acid

Systemtic Name: 2-(2-oxidanylidene-2-sulfanyl-ethyl)-1,3-benzoxazole-5-carboxylic acid Openeye Name: 2-(2-oxo-2-sulfanyl-ethyl)-1,3-benzoxazole-5-carboxylic acid CAS Name: 2-(2-mercapto-2-oxoethyl)-1,3-benzoxazole-5-carboxylic acid IUPAC Name: 2-(2-oxo-2-sulfanylethyl)-1,3-benzoxazole-5-carboxylic acid Traditional Name: 2-(2-keto-2-mercapto-ethyl)-1,3-benzoxazole-5-carboxylic acid Formula: C10H7NO4S MolecularWeight: 237.23188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N=C(O2)CC(=O)S

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=C(O2)CC(=O)S

InChI

InChI=1S/C10H7NO4S/c12-9(16)4-8-11-6-3-5(10(13)14)1-2-7(6)15-8/h1-3H,4H2,(H,12,16)(H,13,14)