dimethyl (2aS,7bS)-1-pyrrolidin-1-yl-7bH-cyclobuta[b][1]benzothiole-2,2a-dicarboxylate

Systemtic Name: dimethyl (2aS,7bS)-1-pyrrolidin-1-yl-7bH-cyclobuta[b][1]benzothiole-2,2a-dicarboxylate Openeye Name: dimethyl (2aS,7bS)-1-pyrrolidin-1-yl-7bH-cyclobuta[b]benzothiophene-2,2a-dicarboxylate CAS Name: (2aS,7bS)-1-(1-pyrrolidinyl)-7bH-cyclobuta[b][1]benzothiole-2,2a-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2aS,7bS)-1-pyrrolidin-1-yl-7bH-cyclobuta[b][1]benzothiole-2,2a-dicarboxylate Traditional Name: (2aS,7bS)-1-pyrrolidino-7bH-cyclobuta[b]benzothiophene-2,2a-dicarboxylic acid dimethyl ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2C1(SC3=CC=CC=C23)C(=O)OC)N4CCCC4

Isomeric SMILES

COC(=O)C1=C([C@H]2[C@@]1(SC3=CC=CC=C23)C(=O)OC)N4CCCC4

InChI

InChI=1S/C18H19NO4S/c1-22-16(20)14-15(19-9-5-6-10-19)13-11-7-3-4-8-12(11)24-18(13,14)17(21)23-2/h3-4,7-8,13H,5-6,9-10H2,1-2H3/t13-,18-/m0/s1