2-[7-(4-methylnaphthalen-1-yl)carbonyl-1-benzothiophen-5-yl]ethanoic acid

Systemtic Name: 2-[7-(4-methylnaphthalen-1-yl)carbonyl-1-benzothiophen-5-yl]ethanoic acid Openeye Name: 2-[7-(4-methylnaphthalene-1-carbonyl)benzothiophen-5-yl]acetic acid CAS Name: 2-[7-[(4-methyl-1-naphthalenyl)-oxomethyl]-1-benzothiophen-5-yl]acetic acid IUPAC Name: 2-[7-(4-methylnaphthalene-1-carbonyl)-1-benzothiophen-5-yl]acetic acid Traditional Name: 2-[7-(4-methyl-1-naphthoyl)benzothiophen-5-yl]acetic acid Formula: C22H16O3S MolecularWeight: 360.42564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)C(=O)C3=C4C(=CC(=C3)CC(=O)O)C=CS4

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)C(=O)C3=C4C(=CC(=C3)CC(=O)O)C=CS4

InChI

InChI=1S/C22H16O3S/c1-13-6-7-18(17-5-3-2-4-16(13)17)21(25)19-11-14(12-20(23)24)10-15-8-9-26-22(15)19/h2-11H,12H2,1H3,(H,23,24)