bis(2-methylsulfonylethyl) 4-[4-(hydroxymethyl)phenyl]-1-methyl-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 4-[4-(hydroxymethyl)phenyl]-1-methyl-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 4-[4-(hydroxymethyl)phenyl]-1-methyl-2-(2-thienyl)-2H-azocine-6,7-dicarboxylate CAS Name: 4-[4-(hydroxymethyl)phenyl]-1-methyl-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 4-[4-(hydroxymethyl)phenyl]-1-methyl-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate Traditional Name: 1-methyl-4-(4-methylolphenyl)-2-(2-thienyl)-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C27H31NO9S3 MolecularWeight: 609.73134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC(=CC1C2=CC=CS2)C3=CC=C(C=C3)CO)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=CC(=CC1C2=CC=CS2)C3=CC=C(C=C3)CO)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C27H31NO9S3/c1-28-17-23(27(31)37-11-14-40(3,34)35)22(26(30)36-10-13-39(2,32)33)15-21(16-24(28)25-5-4-12-38-25)20-8-6-19(18-29)7-9-20/h4-9,12,15-17,24,29H,10-11,13-14,18H2,1-3H3