ethyl 6-(phenylmethyl)-2-[[4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]phenyl]carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 6-(phenylmethyl)-2-[[4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]phenyl]carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-benzyl-2-[[4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[oxo-[4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]phenyl]methyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-[[4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzyl-2-[[4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C34H41N3O5S2 MolecularWeight: 635.83644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CC6(CC5CC(C6)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CC6(CC5CC(C6)(C)C)C

InChI

InChI=1S/C34H41N3O5S2/c1-5-42-32(39)29-27-15-16-36(19-23-9-7-6-8-10-23)20-28(27)43-31(29)35-30(38)24-11-13-26(14-12-24)44(40,41)37-22-34(4)18-25(37)17-33(2,3)21-34/h6-14,25H,5,15-22H2,1-4H3,(H,35,38)