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

Systemtic Name: 2-(carboxycarbonylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Openeye Name: 2-(oxaloamino)-6-(2-pyridylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid CAS Name: 2-(oxaloamino)-6-(2-pyridinylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid IUPAC Name: 2-(oxaloamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Traditional Name: 2-(oxaloamino)-6-(2-pyridylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CC3=CC=CC=N3

InChI

InChI=1S/C16H15N3O5S/c20-13(16(23)24)18-14-12(15(21)22)10-4-6-19(8-11(10)25-14)7-9-3-1-2-5-17-9/h1-3,5H,4,6-8H2,(H,18,20)(H,21,22)(H,23,24)