bis(2-methylsulfonylethyl) 1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-2-ethenyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-2-ethenyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-vinyl-2H-azocine-6,7-dicarboxylate CAS Name: 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-ethenyl-4-(3-hydroxypropyl)-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-ethenyl-4-(3-hydroxypropyl)-2H-azocine-6,7-dicarboxylate Traditional Name: 1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-vinyl-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C29H34ClNO9S3 MolecularWeight: 672.22956

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC(=O)C1=CC(=CC(N(C=C1C(=O)OCCS(=O)(=O)C)CC2=C(C3=CC=CC=C3S2)Cl)C=C)CCCO

Isomeric SMILES

CS(=O)(=O)CCOC(=O)C1=CC(=CC(N(C=C1C(=O)OCCS(=O)(=O)C)CC2=C(C3=CC=CC=C3S2)Cl)C=C)CCCO

InChI

InChI=1S/C29H34ClNO9S3/c1-4-21-16-20(8-7-11-32)17-23(28(33)39-12-14-42(2,35)36)24(29(34)40-13-15-43(3,37)38)18-31(21)19-26-27(30)22-9-5-6-10-25(22)41-26/h4-6,9-10,16-18,21,32H,1,7-8,11-15,19H2,2-3H3