2-(carboxycarbonylamino)-4-(carboxymethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(carboxycarbonylamino)-4-(carboxymethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 4-(carboxymethyl)-2-(oxaloamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 4-(carboxymethyl)-2-(oxaloamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 4-(carboxymethyl)-2-(oxaloamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 4-(carboxymethyl)-2-(oxaloamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C13H13NO7S MolecularWeight: 327.30982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)SC(=C2C(=O)O)NC(=O)C(=O)O)CC(=O)O

Isomeric SMILES

C1CC(C2=C(C1)SC(=C2C(=O)O)NC(=O)C(=O)O)CC(=O)O

InChI

InChI=1S/C13H13NO7S/c15-7(16)4-5-2-1-3-6-8(5)9(12(18)19)11(22-6)14-10(17)13(20)21/h5H,1-4H2,(H,14,17)(H,15,16)(H,18,19)(H,20,21)