(2-aminophenyl)sulfanyl 6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: (2-aminophenyl)sulfanyl 6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Openeye Name: (2-aminophenyl)sulfanyl 6-(3-pyridylmethoxy)benzothiophene-2-carboxylate CAS Name: 6-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid [(2-aminophenyl)thio] ester IUPAC Name: (2-aminophenyl)sulfanyl 6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid [(2-aminophenyl)thio] ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)SOC(=O)C2=CC3=C(S2)C=C(C=C3)OCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)N)SOC(=O)C2=CC3=C(S2)C=C(C=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C21H16N2O3S2/c22-17-5-1-2-6-18(17)28-26-21(24)20-10-15-7-8-16(11-19(15)27-20)25-13-14-4-3-9-23-12-14/h1-12H,13,22H2