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

Systemtic Name: bis(2-methylsulfonylethyl) 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-ethenyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 2-[(3-chlorobenzothiophen-2-yl)methyl]-9-hydroxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-ethenyl-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-ethenyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-9-hydroxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C30H30ClNO9S3 MolecularWeight: 680.2085

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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)C=C

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)C=C

InChI

InChI=1S/C30H30ClNO9S3/c1-4-25-22-16-20(33)10-9-19(22)15-23(29(34)40-11-13-43(2,36)37)24(30(35)41-12-14-44(3,38)39)17-32(25)18-27-28(31)21-7-5-6-8-26(21)42-27/h4-10,15-17,25,33H,1,11-14,18H2,2-3H3