methyl 6-[(E)-3-phenylprop-2-enyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 6-[(E)-3-phenylprop-2-enyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-[(E)-cinnamyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-[(E)-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-[(E)-3-phenylprop-2-enyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-[(E)-cinnamyl]-2-pyrrolidinosulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S2/c1-28-21(25)20-18-11-15-23(12-7-10-17-8-3-2-4-9-17)16-19(18)29-22(20)30(26,27)24-13-5-6-14-24/h2-4,7-10H,5-6,11-16H2,1H3/b10-7+