ethyl 3-acetamido-4,6-dimethyl-5-(phenylmethyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 3-acetamido-4,6-dimethyl-5-(phenylmethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 3-acetamido-5-benzyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-4,6-dimethyl-5-(phenylmethyl)-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-acetamido-5-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-benzyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=C(N=C2S1)C)CC3=CC=CC=C3)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=C(N=C2S1)C)CC3=CC=CC=C3)C)NC(=O)C

InChI

InChI=1S/C21H22N2O3S/c1-5-26-21(25)19-18(23-14(4)24)17-12(2)16(13(3)22-20(17)27-19)11-15-9-7-6-8-10-15/h6-10H,5,11H2,1-4H3,(H,23,24)