2-methyl-2-(2-thiophen-2-ylquinolin-6-yl)propanedioic acid

Systemtic Name: 2-methyl-2-(2-thiophen-2-ylquinolin-6-yl)propanedioic acid Openeye Name: 2-methyl-2-[2-(2-thienyl)-6-quinolyl]propanedioic acid CAS Name: 2-methyl-2-(2-thiophen-2-yl-6-quinolinyl)propanedioic acid IUPAC Name: 2-methyl-2-(2-thiophen-2-ylquinolin-6-yl)propanedioic acid Traditional Name: 2-methyl-2-[2-(2-thienyl)-6-quinolyl]malonic acid Formula: C17H13NO4S MolecularWeight: 327.35442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N=C(C=C2)C3=CC=CS3)(C(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)N=C(C=C2)C3=CC=CS3)(C(=O)O)C(=O)O

InChI

InChI=1S/C17H13NO4S/c1-17(15(19)20,16(21)22)11-5-7-12-10(9-11)4-6-13(18-12)14-3-2-8-23-14/h2-9H,1H3,(H,19,20)(H,21,22)