bis(2-methylsulfonylethyl) 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C31H32ClNO9S3 MolecularWeight: 694.23508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OCCS(=O)(=O)C)CC3=C(C4=CC=CC=C4S3)Cl)C5CC5

Isomeric SMILES

CS(=O)(=O)CCOC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OCCS(=O)(=O)C)CC3=C(C4=CC=CC=C4S3)Cl)C5CC5

InChI

InChI=1S/C31H32ClNO9S3/c1-44(37,38)13-11-41-30(35)24-15-20-9-10-21(34)16-23(20)29(19-7-8-19)33(17-25(24)31(36)42-12-14-45(2,39)40)18-27-28(32)22-5-3-4-6-26(22)43-27/h3-6,9-10,15-17,19,29,34H,7-8,11-14,18H2,1-2H3