(4-oxidanylidene-4-thiophen-2-yl-butyl) 3-methyl-2-oxidanyl-benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3-methyl-2-oxidanyl-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C16H16O4S MolecularWeight: 304.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCCCC(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C16H16O4S/c1-11-5-2-6-12(15(11)18)16(19)20-9-3-7-13(17)14-8-4-10-21-14/h2,4-6,8,10,18H,3,7,9H2,1H3