ethyl 3-(dimethylcarbamoylcarbamoyl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 3-(dimethylcarbamoylcarbamoyl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-(dimethylcarbamoylcarbamoyl)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-[[[dimethylamino(oxo)methyl]amino]-oxomethyl]-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(dimethylcarbamoylcarbamoyl)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-(dimethylcarbamoylcarbamoyl)-2-[(4-pyrrolidinosulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C25H31N5O7S2 MolecularWeight: 577.67294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)NC(=O)N(C)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)NC(=O)N(C)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H31N5O7S2/c1-4-37-25(34)29-14-11-18-19(15-29)38-23(20(18)22(32)27-24(33)28(2)3)26-21(31)16-7-9-17(10-8-16)39(35,36)30-12-5-6-13-30/h7-10H,4-6,11-15H2,1-3H3,(H,26,31)(H,27,32,33)