4-(ethoxycarbonylamino)-5-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)thiophene-3-carboxylic acid

Systemtic Name: 4-(ethoxycarbonylamino)-5-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)thiophene-3-carboxylic acid Openeye Name: 5-(1-carboxybutyl)-4-(ethoxycarbonylamino)thiophene-3-carboxylic acid CAS Name: 4-(ethoxycarbonylamino)-5-(1-hydroxy-1-oxopentan-2-yl)-3-thiophenecarboxylic acid IUPAC Name: 4-(ethoxycarbonylamino)-5-(1-hydroxy-1-oxopentan-2-yl)thiophene-3-carboxylic acid Traditional Name: 4-(carbethoxyamino)-5-(1-carboxybutyl)-3-thenoic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C(=CS1)C(=O)O)NC(=O)OCC)C(=O)O

Isomeric SMILES

CCCC(C1=C(C(=CS1)C(=O)O)NC(=O)OCC)C(=O)O

InChI

InChI=1S/C13H17NO6S/c1-3-5-7(11(15)16)10-9(14-13(19)20-4-2)8(6-21-10)12(17)18/h6-7H,3-5H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)