ethyl 4-(methoxymethyl)-6-methyl-3-[(3-methylphenyl)carbonylamino]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 4-(methoxymethyl)-6-methyl-3-[(3-methylphenyl)carbonylamino]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 4-(methoxymethyl)-6-methyl-3-[(3-methylbenzoyl)amino]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4-(methoxymethyl)-6-methyl-3-[[(3-methylphenyl)-oxomethyl]amino]-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(methoxymethyl)-6-methyl-3-[(3-methylbenzoyl)amino]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4-(methoxymethyl)-6-methyl-3-(m-toluoylamino)thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(C=C2COC)C)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(C=C2COC)C)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H22N2O4S/c1-5-27-21(25)18-17(23-19(24)14-8-6-7-12(2)9-14)16-15(11-26-4)10-13(3)22-20(16)28-18/h6-10H,5,11H2,1-4H3,(H,23,24)