ethyl 1-(3-azanyl-4,6-diphenyl-thieno[2,3-b]pyridin-2-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-azanyl-4,6-diphenyl-thieno[2,3-b]pyridin-2-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(3-amino-4,6-diphenyl-thieno[2,3-b]pyridine-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(3-amino-4,6-diphenyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(3-amino-4,6-diphenyl-thieno[2,3-b]pyridine-2-carbonyl)isonipecotic acid ethyl ester Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C28H27N3O3S/c1-2-34-28(33)20-13-15-31(16-14-20)27(32)25-24(29)23-21(18-9-5-3-6-10-18)17-22(30-26(23)35-25)19-11-7-4-8-12-19/h3-12,17,20H,2,13-16,29H2,1H3