methyl 6-[(2-ethoxycarbonylpiperidin-1-yl)methyl]-3-(2-phenylethanoylamino)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 6-[(2-ethoxycarbonylpiperidin-1-yl)methyl]-3-(2-phenylethanoylamino)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-[(2-ethoxycarbonyl-1-piperidyl)methyl]-3-[(2-phenylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-[(2-ethoxycarbonyl-1-piperidinyl)methyl]-3-[(1-oxo-2-phenylethyl)amino]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(2-ethoxycarbonylpiperidin-1-yl)methyl]-3-[(2-phenylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-[(2-carbethoxypiperidino)methyl]-3-[(2-phenylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCCN1CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O5S/c1-3-34-25(31)20-11-7-8-14-29(20)16-18-12-13-19-22(23(26(32)33-2)35-24(19)27-18)28-21(30)15-17-9-5-4-6-10-17/h4-6,9-10,12-13,20H,3,7-8,11,14-16H2,1-2H3,(H,28,30)