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

Systemtic Name: dimethyl 1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-2-methyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl 1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-methyl-2H-azocine-6,7-dicarboxylate CAS Name: 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-methyl-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-methyl-2H-azocine-6,7-dicarboxylate Traditional Name: 1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(3-hydroxypropyl)-2-methyl-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C24H26ClNO5S MolecularWeight: 475.98494

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C(C(=CN1CC2=C(C3=CC=CC=C3S2)Cl)C(=O)OC)C(=O)OC)CCCO

Isomeric SMILES

CC1C=C(C=C(C(=CN1CC2=C(C3=CC=CC=C3S2)Cl)C(=O)OC)C(=O)OC)CCCO

InChI

InChI=1S/C24H26ClNO5S/c1-15-11-16(7-6-10-27)12-18(23(28)30-2)19(24(29)31-3)13-26(15)14-21-22(25)17-8-4-5-9-20(17)32-21/h4-5,8-9,11-13,15,27H,6-7,10,14H2,1-3H3