2-(carboxycarbonylamino)-6-(2-oxidanylidene-2-phenylazanyl-ethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

Systemtic Name: 2-(carboxycarbonylamino)-6-(2-oxidanylidene-2-phenylazanyl-ethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Openeye Name: 6-(2-anilino-2-oxo-ethyl)-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid CAS Name: 6-(2-anilino-2-oxoethyl)-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid IUPAC Name: 6-(2-anilino-2-oxoethyl)-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Traditional Name: 6-(2-anilino-2-keto-ethyl)-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O6S/c22-13(19-10-4-2-1-3-5-10)9-21-7-6-11-12(8-21)28-16(14(11)17(24)25)20-15(23)18(26)27/h1-5H,6-9H2,(H,19,22)(H,20,23)(H,24,25)(H,26,27)