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

Systemtic Name: dimethyl 1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-4-(3-oxidanylpropyl)-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl 1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-(2-thienyl)-2H-azocine-6,7-dicarboxylate CAS Name: 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate Traditional Name: 1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-(2-thienyl)-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C27H26ClNO5S2 MolecularWeight: 544.08204

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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)C4=CC=CS4)CCCO

Isomeric SMILES

COC(=O)C1=CC(=CC(N(C=C1C(=O)OC)CC2=C(C3=CC=CC=C3S2)Cl)C4=CC=CS4)CCCO

InChI

InChI=1S/C27H26ClNO5S2/c1-33-26(31)19-13-17(7-5-11-30)14-21(23-10-6-12-35-23)29(15-20(19)27(32)34-2)16-24-25(28)18-8-3-4-9-22(18)36-24/h3-4,6,8-10,12-15,21,30H,5,7,11,16H2,1-2H3