5-butanoyl-4-oxidanyl-2-phenylazanyl-thiophene-3-carboxylic acid

Systemtic Name: 5-butanoyl-4-oxidanyl-2-phenylazanyl-thiophene-3-carboxylic acid Openeye Name: 2-anilino-5-butanoyl-4-hydroxy-thiophene-3-carboxylic acid CAS Name: 2-anilino-4-hydroxy-5-(1-oxobutyl)-3-thiophenecarboxylic acid IUPAC Name: 2-anilino-5-butanoyl-4-hydroxythiophene-3-carboxylic acid Traditional Name: 2-anilino-5-butyryl-4-hydroxy-3-thenoic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(S1)NC2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CCCC(=O)C1=C(C(=C(S1)NC2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C15H15NO4S/c1-2-6-10(17)13-12(18)11(15(19)20)14(21-13)16-9-7-4-3-5-8-9/h3-5,7-8,16,18H,2,6H2,1H3,(H,19,20)