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

Systemtic Name: dimethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-ethenyl-9-methoxy-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 2-[(3-chlorobenzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-ethenyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-ethenyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-8-hydroxy-9-methoxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C27H24ClNO6S MolecularWeight: 526.00056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C=C)CC3=C(C4=CC=CC=C4S3)Cl)C(=O)OC)C(=O)OC)O

Isomeric SMILES

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C=C)CC3=C(C4=CC=CC=C4S3)Cl)C(=O)OC)C(=O)OC)O

InChI

InChI=1S/C27H24ClNO6S/c1-5-20-17-12-22(33-2)21(30)11-15(17)10-18(26(31)34-3)19(27(32)35-4)13-29(20)14-24-25(28)16-8-6-7-9-23(16)36-24/h5-13,20,30H,1,14H2,2-4H3