bis(2-methylsulfonylethyl) 2-methyl-9-oxidanyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 2-methyl-9-oxidanyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 9-hydroxy-2-methyl-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 9-hydroxy-2-methyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 9-hydroxy-2-methyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-2-methyl-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C24H27NO9S3 MolecularWeight: 569.66748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC2=C(C1C3=CC=CS3)C=C(C=C2)O)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=CC2=C(C1C3=CC=CS3)C=C(C=C2)O)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C24H27NO9S3/c1-25-15-20(24(28)34-9-12-37(3,31)32)19(23(27)33-8-11-36(2,29)30)13-16-6-7-17(26)14-18(16)22(25)21-5-4-10-35-21/h4-7,10,13-15,22,26H,8-9,11-12H2,1-3H3