bis(2-methylsulfonylethyl) 1-methyl-4-(3-oxidanylpropyl)-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 1-methyl-4-(3-oxidanylpropyl)-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 4-(3-hydroxypropyl)-1-methyl-2-(2-thienyl)-2H-azocine-6,7-dicarboxylate CAS Name: 4-(3-hydroxypropyl)-1-methyl-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 4-(3-hydroxypropyl)-1-methyl-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate Traditional Name: 4-(3-hydroxypropyl)-1-methyl-2-(2-thienyl)-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C23H31NO9S3 MolecularWeight: 561.68854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC(=CC1C2=CC=CS2)CCCO)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=CC(=CC1C2=CC=CS2)CCCO)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C23H31NO9S3/c1-24-16-19(23(27)33-10-13-36(3,30)31)18(22(26)32-9-12-35(2,28)29)14-17(6-4-8-25)15-20(24)21-7-5-11-34-21/h5,7,11,14-16,20,25H,4,6,8-10,12-13H2,1-3H3