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

Systemtic Name: dimethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-9-oxidanyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 2-[(3-chlorobenzothiophen-2-yl)methyl]-9-hydroxy-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-9-hydroxy-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-9-hydroxy-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-9-hydroxy-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C28H22ClNO5S2 MolecularWeight: 552.06098

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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)C5=CC=CS5

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)C5=CC=CS5

InChI

InChI=1S/C28H22ClNO5S2/c1-34-27(32)20-12-16-9-10-17(31)13-19(16)26(23-8-5-11-36-23)30(14-21(20)28(33)35-2)15-24-25(29)18-6-3-4-7-22(18)37-24/h3-14,26,31H,15H2,1-2H3