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

Systemtic Name: bis(2-methylsulfonylethyl) 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-ethenyl-9-methoxy-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 2-[(3-chlorobenzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-ethenyl-8-hydroxy-9-methoxy-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-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C31H32ClNO10S3 MolecularWeight: 710.23448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C=C)CC3=C(C4=CC=CC=C4S3)Cl)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

Isomeric SMILES

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C=C)CC3=C(C4=CC=CC=C4S3)Cl)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

InChI

InChI=1S/C31H32ClNO10S3/c1-5-24-21-16-26(41-2)25(34)15-19(21)14-22(30(35)42-10-12-45(3,37)38)23(31(36)43-11-13-46(4,39)40)17-33(24)18-28-29(32)20-8-6-7-9-27(20)44-28/h5-9,14-17,24,34H,1,10-13,18H2,2-4H3