[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C21H21NO3S2/c23-19-3-1-12-22(19)17-8-10-18(11-9-17)25-20(24)15-4-6-16(7-5-15)21-26-13-2-14-27-21/h4-11,21H,1-3,12-14H2