2-(naphthalen-1-ylmethyl)-2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)propanedioic acid

Systemtic Name: 2-(naphthalen-1-ylmethyl)-2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)propanedioic acid Openeye Name: 2-(1-naphthylmethyl)-2-[2-oxo-2-(2-thienyl)ethyl]propanedioic acid CAS Name: 2-(1-naphthalenylmethyl)-2-(2-oxo-2-thiophen-2-ylethyl)propanedioic acid IUPAC Name: 2-(naphthalen-1-ylmethyl)-2-(2-oxo-2-thiophen-2-ylethyl)propanedioic acid Traditional Name: 2-[2-keto-2-(2-thienyl)ethyl]-2-(1-naphthylmethyl)malonic acid Formula: C20H16O5S MolecularWeight: 368.40304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(CC(=O)C3=CC=CS3)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(CC(=O)C3=CC=CS3)(C(=O)O)C(=O)O

InChI

InChI=1S/C20H16O5S/c21-16(17-9-4-10-26-17)12-20(18(22)23,19(24)25)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10H,11-12H2,(H,22,23)(H,24,25)