(3-morpholin-4-ylsulfonylphenyl)methyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)N)C

InChI

InChI=1S/C21H23N3O5S2/c1-13-10-14(2)23-20-17(13)18(22)19(30-20)21(25)29-12-15-4-3-5-16(11-15)31(26,27)24-6-8-28-9-7-24/h3-5,10-11H,6-9,12,22H2,1-2H3