(phenylmethyl) 3-azanyl-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: (phenylmethyl) 3-azanyl-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: benzyl 3-amino-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-4-(4-methoxyphenyl)-6-phenyl-2-thieno[2,3-b]pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridine-2-carboxylic acid benzyl ester Formula: C28H22N2O3S MolecularWeight: 466.55088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)OCC4=CC=CC=C4)N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)OCC4=CC=CC=C4)N)C5=CC=CC=C5

InChI

InChI=1S/C28H22N2O3S/c1-32-21-14-12-19(13-15-21)22-16-23(20-10-6-3-7-11-20)30-27-24(22)25(29)26(34-27)28(31)33-17-18-8-4-2-5-9-18/h2-16H,17,29H2,1H3