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

Systemtic Name: 7-[(4-methoxyphenyl)methylamino]-5-(phenylmethylsulfanyl)thieno[3,2-b]pyridine-6-carboxylic acid Openeye Name: 5-benzylsulfanyl-7-[(4-methoxyphenyl)methylamino]thieno[3,2-b]pyridine-6-carboxylic acid CAS Name: 7-[(4-methoxyphenyl)methylamino]-5-(phenylmethylthio)-6-thieno[3,2-b]pyridinecarboxylic acid IUPAC Name: 5-benzylsulfanyl-7-[(4-methoxyphenyl)methylamino]thieno[3,2-b]pyridine-6-carboxylic acid Traditional Name: 5-(benzylthio)-7-(p-anisylamino)thieno[3,2-b]pyridine-6-carboxylic acid Formula: C23H20N2O3S2 MolecularWeight: 436.5465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C(=NC3=C2SC=C3)SCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C(=NC3=C2SC=C3)SCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H20N2O3S2/c1-28-17-9-7-15(8-10-17)13-24-20-19(23(26)27)22(25-18-11-12-29-21(18)20)30-14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,24,25)(H,26,27)