ethyl 4-azanyl-3-[[3-(phenylmethylsulfanyl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate

Systemtic Name: ethyl 4-azanyl-3-[[3-(phenylmethylsulfanyl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate Openeye Name: ethyl 4-amino-3-[(3-benzylsulfanylphenoxy)methyl]thieno[3,2-c]pyridine-7-carboxylate CAS Name: 4-amino-3-[[3-(phenylmethylthio)phenoxy]methyl]-7-thieno[3,2-c]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-3-[(3-benzylsulfanylphenoxy)methyl]thieno[3,2-c]pyridine-7-carboxylate Traditional Name: 4-amino-3-[[3-(benzylthio)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid ethyl ester Formula: C24H22N2O3S2 MolecularWeight: 450.57308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=C1SC=C2COC3=CC(=CC=C3)SCC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=C1SC=C2COC3=CC(=CC=C3)SCC4=CC=CC=C4)N

InChI

InChI=1S/C24H22N2O3S2/c1-2-28-24(27)20-12-26-23(25)21-17(15-31-22(20)21)13-29-18-9-6-10-19(11-18)30-14-16-7-4-3-5-8-16/h3-12,15H,2,13-14H2,1H3,(H2,25,26)