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

Systemtic Name: bis(2-methylsulfonylethyl) 1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-2-methyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-methyl-2H-azocine-6,7-dicarboxylate CAS Name: 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-methyl-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-methyl-2H-azocine-6,7-dicarboxylate Traditional Name: 1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-methyl-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C28H34ClNO9S3 MolecularWeight: 660.21886

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C(C(=CN1CC2=C(C3=CC=CC=C3S2)Cl)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)CCCO

Isomeric SMILES

CC1C=C(C=C(C(=CN1CC2=C(C3=CC=CC=C3S2)Cl)C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)CCCO

InChI

InChI=1S/C28H34ClNO9S3/c1-19-15-20(7-6-10-31)16-22(27(32)38-11-13-41(2,34)35)23(28(33)39-12-14-42(3,36)37)17-30(19)18-25-26(29)21-8-4-5-9-24(21)40-25/h4-5,8-9,15-17,19,31H,6-7,10-14,18H2,1-3H3