5-(octanoylamino)thiophene-2-carboxylic acid

Systemtic Name: 5-(octanoylamino)thiophene-2-carboxylic acid Openeye Name: 5-(octanoylamino)thiophene-2-carboxylic acid CAS Name: 5-(1-oxooctylamino)-2-thiophenecarboxylic acid IUPAC Name: 5-(octanoylamino)thiophene-2-carboxylic acid Traditional Name: 5-(caprylylamino)-2-thenoic acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC=C(S1)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC1=CC=C(S1)C(=O)O

InChI

InChI=1S/C13H19NO3S/c1-2-3-4-5-6-7-11(15)14-12-9-8-10(18-12)13(16)17/h8-9H,2-7H2,1H3,(H,14,15)(H,16,17)