7-phenethyloxy-3,4-dihydro-2H-thiochromene-4-carboxylic acid

Systemtic Name: 7-phenethyloxy-3,4-dihydro-2H-thiochromene-4-carboxylic acid Openeye Name: 7-phenethyloxythiochromane-4-carboxylic acid CAS Name: 7-phenethyloxy-3,4-dihydro-2H-1-benzothiopyran-4-carboxylic acid IUPAC Name: 7-phenethyloxy-3,4-dihydro-2H-thiochromene-4-carboxylic acid Traditional Name: 7-phenethyloxythiochroman-4-carboxylic acid Formula: C18H18O3S MolecularWeight: 314.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1C(=O)O)C=CC(=C2)OCCC3=CC=CC=C3

Isomeric SMILES

C1CSC2=C(C1C(=O)O)C=CC(=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C18H18O3S/c19-18(20)16-9-11-22-17-12-14(6-7-15(16)17)21-10-8-13-4-2-1-3-5-13/h1-7,12,16H,8-11H2,(H,19,20)