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

Systemtic Name: bis(2-methylsulfonylethyl) 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-9-methoxy-8-oxidanyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 2-[(3-chlorobenzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-thiophen-2-yl-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-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C33H32ClNO10S4 MolecularWeight: 766.32088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3=CC=CS3)CC4=C(C5=CC=CC=C5S4)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)C3=CC=CS3)CC4=C(C5=CC=CC=C5S4)Cl)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

InChI

InChI=1S/C33H32ClNO10S4/c1-43-26-17-22-20(16-25(26)36)15-23(32(37)44-10-13-48(2,39)40)24(33(38)45-11-14-49(3,41)42)18-35(31(22)28-9-6-12-46-28)19-29-30(34)21-7-4-5-8-27(21)47-29/h4-9,12,15-18,31,36H,10-11,13-14,19H2,1-3H3