4-(1-benzothiophen-4-yl)-2-methyl-buta-2,3-dienoic acid

Systemtic Name: 4-(1-benzothiophen-4-yl)-2-methyl-buta-2,3-dienoic acid Openeye Name: 4-(benzothiophen-4-yl)-2-methyl-buta-2,3-dienoic acid CAS Name: 4-(1-benzothiophen-4-yl)-2-methylbuta-2,3-dienoic acid IUPAC Name: 4-(1-benzothiophen-4-yl)-2-methylbuta-2,3-dienoic acid Traditional Name: 4-(benzothiophen-4-yl)-2-methyl-buta-2,3-dienoic acid Formula: C13H10O2S MolecularWeight: 230.2823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C=CC1=C2C=CSC2=CC=C1)C(=O)O

Isomeric SMILES

CC(=C=CC1=C2C=CSC2=CC=C1)C(=O)O

InChI

InChI=1S/C13H10O2S/c1-9(13(14)15)5-6-10-3-2-4-12-11(10)7-8-16-12/h2-4,6-8H,1H3,(H,14,15)