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

Systemtic Name: dimethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C27H24ClNO5S MolecularWeight: 510.00116

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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)C5CC5

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)C5CC5

InChI

InChI=1S/C27H24ClNO5S/c1-33-26(31)20-11-16-9-10-17(30)12-19(16)25(15-7-8-15)29(13-21(20)27(32)34-2)14-23-24(28)18-5-3-4-6-22(18)35-23/h3-6,9-13,15,25,30H,7-8,14H2,1-2H3