(4-acetamidophenyl) 2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate

Systemtic Name: (4-acetamidophenyl) 2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate Openeye Name: (4-acetamidophenyl) 2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate CAS Name: 2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate Traditional Name: 2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid (4-acetamidophenyl) ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(SC3=C2CCSC3)N4C=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(SC3=C2CCSC3)N4C=CC=C4

InChI

InChI=1S/C20H18N2O3S2/c1-13(23)21-14-4-6-15(7-5-14)25-20(24)18-16-8-11-26-12-17(16)27-19(18)22-9-2-3-10-22/h2-7,9-10H,8,11-12H2,1H3,(H,21,23)