dimethyl 1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-2-ethenyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate

Systemtic Name: dimethyl 1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-2-ethenyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl 1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-vinyl-2H-azocine-6,7-dicarboxylate CAS Name: 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-ethenyl-4-(3-hydroxypropyl)-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-ethenyl-4-(3-hydroxypropyl)-2H-azocine-6,7-dicarboxylate Traditional Name: 1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-vinyl-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C25H26ClNO5S MolecularWeight: 487.99564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(N(C=C1C(=O)OC)CC2=C(C3=CC=CC=C3S2)Cl)C=C)CCCO

Isomeric SMILES

COC(=O)C1=CC(=CC(N(C=C1C(=O)OC)CC2=C(C3=CC=CC=C3S2)Cl)C=C)CCCO

InChI

InChI=1S/C25H26ClNO5S/c1-4-17-12-16(8-7-11-28)13-19(24(29)31-2)20(25(30)32-3)14-27(17)15-22-23(26)18-9-5-6-10-21(18)33-22/h4-6,9-10,12-14,17,28H,1,7-8,11,15H2,2-3H3