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

Systemtic Name: bis(2-methylsulfonylethyl) 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-9-methoxy-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-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-cyclopropyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C32H34ClNO10S3 MolecularWeight: 724.26106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3CC3)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)C3CC3)CC4=C(C5=CC=CC=C5S4)Cl)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

InChI

InChI=1S/C32H34ClNO10S3/c1-42-26-16-22-20(15-25(26)35)14-23(31(36)43-10-12-46(2,38)39)24(32(37)44-11-13-47(3,40)41)17-34(30(22)19-8-9-19)18-28-29(33)21-6-4-5-7-27(21)45-28/h4-7,14-17,19,30,35H,8-13,18H2,1-3H3