3-acetamido-5-methyl-thiophene-2-carboxylic acid; bicyclo[2.2.0]hexa-1(4),2,5-triene

Systemtic Name: 3-acetamido-5-methyl-thiophene-2-carboxylic acid; bicyclo[2.2.0]hexa-1(4),2,5-triene Openeye Name: 3-acetamido-5-methyl-thiophene-2-carboxylic acid; bicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: 3-acetamido-5-methyl-2-thiophenecarboxylic acid; bicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: 3-acetamido-5-methylthiophene-2-carboxylic acid; bicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: 3-acetamido-5-methyl-2-thenoic acid; bicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C(=O)O)NC(=O)C.C1=CC2=C1C=C2

Isomeric SMILES

CC1=CC(=C(S1)C(=O)O)NC(=O)C.C1=CC2=C1C=C2

InChI

InChI=1S/C8H9NO3S.C6H4/c1-4-3-6(9-5(2)10)7(13-4)8(11)12;1-2-6-4-3-5(1)6/h3H,1-2H3,(H,9,10)(H,11,12);1-4H