(2E)-2-[(5-methylthiophen-2-yl)methylidene]-3-phenyl-butanedioic acid

Systemtic Name: (2E)-2-[(5-methylthiophen-2-yl)methylidene]-3-phenyl-butanedioic acid Openeye Name: (2E)-2-[(5-methyl-2-thienyl)methylene]-3-phenyl-butanedioic acid CAS Name: (2E)-2-[(5-methyl-2-thiophenyl)methylidene]-3-phenylbutanedioic acid IUPAC Name: (2E)-2-[(5-methylthiophen-2-yl)methylidene]-3-phenylbutanedioic acid Traditional Name: (2E)-2-[(5-methyl-2-thienyl)methylene]-3-phenyl-succinic acid Formula: C16H14O4S MolecularWeight: 302.34496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=C(C(C2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)/C=C(\C(C2=CC=CC=C2)C(=O)O)/C(=O)O

InChI

InChI=1S/C16H14O4S/c1-10-7-8-12(21-10)9-13(15(17)18)14(16(19)20)11-5-3-2-4-6-11/h2-9,14H,1H3,(H,17,18)(H,19,20)/b13-9+