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

Systemtic Name: dimethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-9-methoxy-8-oxidanyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C29H24ClNO6S2 MolecularWeight: 582.08696

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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)OC)C(=O)OC)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)OC)C(=O)OC)O

InChI

InChI=1S/C29H24ClNO6S2/c1-35-22-13-18-16(12-21(22)32)11-19(28(33)36-2)20(29(34)37-3)14-31(27(18)24-9-6-10-38-24)15-25-26(30)17-7-4-5-8-23(17)39-25/h4-14,27,32H,15H2,1-3H3