ethyl 3-(aminocarbonylcarbamoyl)-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-6-carboxylate

Systemtic Name: ethyl 3-(aminocarbonylcarbamoyl)-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-6-carboxylate Openeye Name: ethyl 3-allophanoyl-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-6-carboxylate CAS Name: 3-[(carbamoylamino)-oxomethyl]-2-[[oxo-[4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]phenyl]methyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(carbamoylcarbamoyl)-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-6-carboxylate Traditional Name: 3-allophanoyl-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-6-carboxylic acid ethyl ester Formula: C29H37N5O7S2 MolecularWeight: 631.76338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)NC(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC5(CC4CC(C5)(C)C)C

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)NC(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC5(CC4CC(C5)(C)C)C

InChI

InChI=1S/C29H37N5O7S2/c1-5-41-27(38)33-11-10-20-21(14-33)42-25(22(20)24(36)32-26(30)37)31-23(35)17-6-8-19(9-7-17)43(39,40)34-16-29(4)13-18(34)12-28(2,3)15-29/h6-9,18H,5,10-16H2,1-4H3,(H,31,35)(H3,30,32,36,37)