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

Systemtic Name: dimethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-9-methoxy-1-methyl-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 2-[(3-chlorobenzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-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-methyl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C26H24ClNO6S MolecularWeight: 513.98986

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2C=C(C(=CN1CC3=C(C4=CC=CC=C4S3)Cl)C(=O)OC)C(=O)OC)O)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2C=C(C(=CN1CC3=C(C4=CC=CC=C4S3)Cl)C(=O)OC)C(=O)OC)O)OC

InChI

InChI=1S/C26H24ClNO6S/c1-14-17-11-21(32-2)20(29)10-15(17)9-18(25(30)33-3)19(26(31)34-4)12-28(14)13-23-24(27)16-7-5-6-8-22(16)35-23/h5-12,14,29H,13H2,1-4H3