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

Systemtic Name: dimethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-methyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 2-[(3-chlorobenzothiophen-2-yl)methyl]-9-hydroxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-9-hydroxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-9-hydroxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-9-hydroxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C25H22ClNO5S MolecularWeight: 483.96388

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)O)C=C(C(=CN1CC3=C(C4=CC=CC=C4S3)Cl)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1C2=C(C=CC(=C2)O)C=C(C(=CN1CC3=C(C4=CC=CC=C4S3)Cl)C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H22ClNO5S/c1-14-18-11-16(28)9-8-15(18)10-19(24(29)31-2)20(25(30)32-3)12-27(14)13-22-23(26)17-6-4-5-7-21(17)33-22/h4-12,14,28H,13H2,1-3H3