7-[(4-methylphenyl)methylamino]-5-(phenylmethylsulfanyl)thieno[3,2-b]pyridine-6-carboxylic acid

Systemtic Name: 7-[(4-methylphenyl)methylamino]-5-(phenylmethylsulfanyl)thieno[3,2-b]pyridine-6-carboxylic acid Openeye Name: 5-benzylsulfanyl-7-(p-tolylmethylamino)thieno[3,2-b]pyridine-6-carboxylic acid CAS Name: 7-[(4-methylphenyl)methylamino]-5-(phenylmethylthio)-6-thieno[3,2-b]pyridinecarboxylic acid IUPAC Name: 5-benzylsulfanyl-7-[(4-methylphenyl)methylamino]thieno[3,2-b]pyridine-6-carboxylic acid Traditional Name: 5-(benzylthio)-7-[(4-methylbenzyl)amino]thieno[3,2-b]pyridine-6-carboxylic acid Formula: C23H20N2O2S2 MolecularWeight: 420.5471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC3=C2SC=C3)SCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC3=C2SC=C3)SCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H20N2O2S2/c1-15-7-9-16(10-8-15)13-24-20-19(23(26)27)22(25-18-11-12-28-21(18)20)29-14-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,24,25)(H,26,27)