5-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]thiophene-2-carboxylic acid Openeye Name: 5-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]thiophene-2-carboxylic acid CAS Name: 5-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]thiophene-2-carboxylic acid Traditional Name: 5-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-2-thenoic acid Formula: C10H12N2O4S2 MolecularWeight: 288.34328

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)NC(=O)CCSCC(=O)N)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)NC(=O)CCSCC(=O)N)C(=O)O

InChI

InChI=1S/C10H12N2O4S2/c11-7(13)5-17-4-3-8(14)12-9-2-1-6(18-9)10(15)16/h1-2H,3-5H2,(H2,11,13)(H,12,14)(H,15,16)