bis(2-methylsulfonylethyl) 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-9-methoxy-1-methyl-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-9-methoxy-1-methyl-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 2-[(3-chlorobenzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C30H32ClNO10S3 MolecularWeight: 698.22378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2C=C(C(=CN1CC3=C(C4=CC=CC=C4S3)Cl)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2C=C(C(=CN1CC3=C(C4=CC=CC=C4S3)Cl)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O)OC

InChI

InChI=1S/C30H32ClNO10S3/c1-18-21-15-25(40-2)24(33)14-19(21)13-22(29(34)41-9-11-44(3,36)37)23(30(35)42-10-12-45(4,38)39)16-32(18)17-27-28(31)20-7-5-6-8-26(20)43-27/h5-8,13-16,18,33H,9-12,17H2,1-4H3