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

Systemtic Name: ethyl 4-azanyl-3-[[3-(phenylmethyl)sulfonylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate Openeye Name: ethyl 4-amino-3-[(3-benzylsulfonylphenoxy)methyl]thieno[3,2-c]pyridine-7-carboxylate CAS Name: 4-amino-3-[[3-(phenylmethyl)sulfonylphenoxy]methyl]-7-thieno[3,2-c]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-3-[(3-benzylsulfonylphenoxy)methyl]thieno[3,2-c]pyridine-7-carboxylate Traditional Name: 4-amino-3-[(3-benzylsulfonylphenoxy)methyl]thieno[3,2-c]pyridine-7-carboxylic acid ethyl ester Formula: C24H22N2O5S2 MolecularWeight: 482.57188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=C1SC=C2COC3=CC(=CC=C3)S(=O)(=O)CC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=C1SC=C2COC3=CC(=CC=C3)S(=O)(=O)CC4=CC=CC=C4)N

InChI

InChI=1S/C24H22N2O5S2/c1-2-30-24(27)20-12-26-23(25)21-17(14-32-22(20)21)13-31-18-9-6-10-19(11-18)33(28,29)15-16-7-4-3-5-8-16/h3-12,14H,2,13,15H2,1H3,(H2,25,26)