3-methyl-5-(4-methylpentanoylamino)thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-(4-methylpentanoylamino)thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-(4-methylpentanoylamino)thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(4-methyl-1-oxopentyl)amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-(4-methylpentanoylamino)thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-(4-methylpentanoylamino)-2-thenoic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)CCC(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)CCC(C)C)C(=O)O

InChI

InChI=1S/C12H17NO3S/c1-7(2)4-5-9(14)13-10-6-8(3)11(17-10)12(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)