[5,5-dimethyl-7-(2-oxidanylidenepyrrolidin-1-yl)-6,7-dihydrothieno[3,2-b]pyran-6-yl] benzoate

Systemtic Name: [5,5-dimethyl-7-(2-oxidanylidenepyrrolidin-1-yl)-6,7-dihydrothieno[3,2-b]pyran-6-yl] benzoate Openeye Name: [5,5-dimethyl-7-(2-oxopyrrolidin-1-yl)-6,7-dihydrothieno[3,2-b]pyran-6-yl] benzoate CAS Name: benzoic acid [5,5-dimethyl-7-(2-oxo-1-pyrrolidinyl)-6,7-dihydrothieno[3,2-b]pyran-6-yl] ester IUPAC Name: [5,5-dimethyl-7-(2-oxopyrrolidin-1-yl)-6,7-dihydrothieno[3,2-b]pyran-6-yl] benzoate Traditional Name: benzoic acid [7-(2-ketopyrrolidino)-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-6-yl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CS2)N3CCCC3=O)OC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CS2)N3CCCC3=O)OC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C20H21NO4S/c1-20(2)18(24-19(23)13-7-4-3-5-8-13)16(21-11-6-9-15(21)22)17-14(25-20)10-12-26-17/h3-5,7-8,10,12,16,18H,6,9,11H2,1-2H3