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

Systemtic Name: 7-phenylazanyl-5-(phenylmethylsulfanyl)thieno[3,2-b]pyridine-6-carboxylic acid Openeye Name: 7-anilino-5-benzylsulfanyl-thieno[3,2-b]pyridine-6-carboxylic acid CAS Name: 7-anilino-5-(phenylmethylthio)-6-thieno[3,2-b]pyridinecarboxylic acid IUPAC Name: 7-anilino-5-benzylsulfanylthieno[3,2-b]pyridine-6-carboxylic acid Traditional Name: 7-anilino-5-(benzylthio)thieno[3,2-b]pyridine-6-carboxylic acid Formula: C21H16N2O2S2 MolecularWeight: 392.49394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C(=C2C(=O)O)NC4=CC=CC=C4)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C(=C2C(=O)O)NC4=CC=CC=C4)SC=C3

InChI

InChI=1S/C21H16N2O2S2/c24-21(25)17-18(22-15-9-5-2-6-10-15)19-16(11-12-26-19)23-20(17)27-13-14-7-3-1-4-8-14/h1-12H,13H2,(H,22,23)(H,24,25)