5-[(3-methylpentanoylamino)methyl]thiophene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)NCC1=CC=C(S1)C(=O)O

Isomeric SMILES

CCC(C)CC(=O)NCC1=CC=C(S1)C(=O)O

InChI

InChI=1S/C12H17NO3S/c1-3-8(2)6-11(14)13-7-9-4-5-10(17-9)12(15)16/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)(H,15,16)