2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid CAS Name: 2-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-4,5-dimethylthiophene-3-carboxylic acid Traditional Name: 2-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-4,5-dimethyl-3-thenoic acid Formula: C12H16N2O4S2 MolecularWeight: 316.39644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)CCSCC(=O)N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)CCSCC(=O)N)C

InChI

InChI=1S/C12H16N2O4S2/c1-6-7(2)20-11(10(6)12(17)18)14-9(16)3-4-19-5-8(13)15/h3-5H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)