ethyl 4-[(4-methylphenyl)sulfonylamino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylate

Systemtic Name: ethyl 4-[(4-methylphenyl)sulfonylamino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylate Openeye Name: ethyl 4-(p-tolylsulfonylamino)benzothiopheno[3,2-b]pyridine-3-carboxylate CAS Name: 4-[(4-methylphenyl)sulfonylamino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylphenyl)sulfonylamino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylate Traditional Name: 4-(tosylamino)benzothiopheno[3,2-b]pyridine-3-carboxylic acid ethyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C3=CC=CC=C3SC2=C1NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C3=CC=CC=C3SC2=C1NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H18N2O4S2/c1-3-27-21(24)16-12-22-18-15-6-4-5-7-17(15)28-20(18)19(16)23-29(25,26)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3,(H,22,23)