sodium 2-benzamido-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: sodium 2-benzamido-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: sodium 2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: sodium 2-benzamido-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate IUPAC Name: sodium 2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: sodium 2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Formula: C22H19N2NaO3S MolecularWeight: 414.45263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C22H20N2O3S.Na/c25-20(16-9-5-2-6-10-16)23-21-19(22(26)27)17-11-12-24(14-18(17)28-21)13-15-7-3-1-4-8-15;/h1-10H,11-14H2,(H,23,25)(H,26,27);/q;+1/p-1