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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CC3=CC=NC=C3

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CC3=CC=NC=C3

InChI

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