methyl 6-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 6-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-[(Z)-2-chloro-3-phenyl-allyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-[(Z)-2-chloro-3-phenylprop-2-enyl]-2-(1-pyrrolidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[(Z)-2-chloro-3-phenylprop-2-enyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-[(Z)-2-chloro-3-phenyl-allyl]-2-pyrrolidinosulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H25ClN2O4S2 MolecularWeight: 481.0279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)CC(=CC3=CC=CC=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)C/C(=C/C3=CC=CC=C3)/Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25ClN2O4S2/c1-29-21(26)20-18-9-12-24(14-17(23)13-16-7-3-2-4-8-16)15-19(18)30-22(20)31(27,28)25-10-5-6-11-25/h2-4,7-8,13H,5-6,9-12,14-15H2,1H3/b17-13-