dimethyl 2-[2-(phenylsulfonyl)-3-thiophen-3-yl-propyl]propanedioate

Systemtic Name: dimethyl 2-[2-(phenylsulfonyl)-3-thiophen-3-yl-propyl]propanedioate Openeye Name: dimethyl 2-[2-(benzenesulfonyl)-3-(3-thienyl)propyl]propanedioate CAS Name: 2-[2-(benzenesulfonyl)-3-(3-thiophenyl)propyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(benzenesulfonyl)-3-thiophen-3-ylpropyl]propanedioate Traditional Name: 2-[2-besyl-3-(3-thienyl)propyl]malonic acid dimethyl ester Formula: C18H20O6S2 MolecularWeight: 396.4778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(CC1=CSC=C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(CC(CC1=CSC=C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H20O6S2/c1-23-17(19)16(18(20)24-2)11-15(10-13-8-9-25-12-13)26(21,22)14-6-4-3-5-7-14/h3-9,12,15-16H,10-11H2,1-2H3