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

Systemtic Name: dimethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-ethenyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 2-[(3-chlorobenzothiophen-2-yl)methyl]-9-hydroxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-ethenyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-ethenyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-9-hydroxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C26H22ClNO5S MolecularWeight: 495.97458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=C(C4=CC=CC=C4S3)Cl)C=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=C(C4=CC=CC=C4S3)Cl)C=C

InChI

InChI=1S/C26H22ClNO5S/c1-4-21-18-12-16(29)10-9-15(18)11-19(25(30)32-2)20(26(31)33-3)13-28(21)14-23-24(27)17-7-5-6-8-22(17)34-23/h4-13,21,29H,1,14H2,2-3H3