3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(4-hydroxy-4-oxo-butanoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid CAS Name: 3-[(4-hydroxy-1,4-dioxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(4-hydroxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(4-hydroxy-4-keto-butanoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)C(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)C(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H15NO5S/c15-9(5-6-10(16)17)14-11-7-3-1-2-4-8(7)20-12(11)13(18)19/h1-6H2,(H,14,15)(H,16,17)(H,18,19)