(phenylmethyl) 2-azanyl-3-(3,4-dimethoxyphenyl)carbonyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-7-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-3-(3,4-dimethoxyphenyl)carbonyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-7-carboxylate Openeye Name: benzyl 2-amino-3-(3,4-dimethoxybenzoyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-7-carboxylate CAS Name: 2-amino-3-[(3,4-dimethoxyphenyl)-oxomethyl]-5,6-dihydro-4H-thieno[2,3-b]pyridine-7-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-3-(3,4-dimethoxybenzoyl)-5,6-dihydro-4H-thieno[2,3-b]pyridine-7-carboxylate Traditional Name: 2-amino-3-veratroyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-7-carboxylic acid benzyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=C(SC3=C2CCCN3C(=O)OCC4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(SC3=C2CCCN3C(=O)OCC4=CC=CC=C4)N)OC

InChI

InChI=1S/C24H24N2O5S/c1-29-18-11-10-16(13-19(18)30-2)21(27)20-17-9-6-12-26(23(17)32-22(20)25)24(28)31-14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12,14,25H2,1-2H3