5-[(butanoylamino)methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(butanoylamino)methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(butanoylamino)methyl]thiophene-2-carboxylic acid CAS Name: 5-[(1-oxobutylamino)methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(butanoylamino)methyl]thiophene-2-carboxylic acid Traditional Name: 5-(butyramidomethyl)-2-thenoic acid Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO3S/c1-2-3-9(12)11-6-7-4-5-8(15-7)10(13)14/h4-5H,2-3,6H2,1H3,(H,11,12)(H,13,14)