methyl 3-azanyl-6-(dimethoxymethyl)-2-(4-methylphenyl)carbonyl-thieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: methyl 3-azanyl-6-(dimethoxymethyl)-2-(4-methylphenyl)carbonyl-thieno[2,3-b]pyridine-5-carboxylate Openeye Name: methyl 3-amino-6-(dimethoxymethyl)-2-(4-methylbenzoyl)thieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-amino-6-(dimethoxymethyl)-2-[(4-methylphenyl)-oxomethyl]-5-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-6-(dimethoxymethyl)-2-(4-methylbenzoyl)thieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-amino-6-(dimethoxymethyl)-2-p-toluoyl-thieno[2,3-b]pyridine-5-carboxylic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C3=CC(=C(N=C3S2)C(OC)OC)C(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=CC(=C(N=C3S2)C(OC)OC)C(=O)OC)N

InChI

InChI=1S/C20H20N2O5S/c1-10-5-7-11(8-6-10)16(23)17-14(21)12-9-13(19(24)25-2)15(20(26-3)27-4)22-18(12)28-17/h5-9,20H,21H2,1-4H3