2-(1-butyl-3,4-dihydro-[1]benzothiolo[2,3-c]pyran-1-yl)ethanoic acid

Systemtic Name: 2-(1-butyl-3,4-dihydro-[1]benzothiolo[2,3-c]pyran-1-yl)ethanoic acid Openeye Name: 2-(1-butyl-3,4-dihydrobenzothiopheno[2,3-c]pyran-1-yl)acetic acid CAS Name: 2-(1-butyl-3,4-dihydro-[1]benzothiolo[2,3-c]pyran-1-yl)acetic acid IUPAC Name: 2-(1-butyl-3,4-dihydro-[1]benzothiolo[2,3-c]pyran-1-yl)acetic acid Traditional Name: 2-(1-butyl-3,4-dihydrobenzothiopheno[2,3-c]pyran-1-yl)acetic acid Formula: C17H20O3S MolecularWeight: 304.4039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(CCO1)C3=CC=CC=C3S2)CC(=O)O

Isomeric SMILES

CCCCC1(C2=C(CCO1)C3=CC=CC=C3S2)CC(=O)O

InChI

InChI=1S/C17H20O3S/c1-2-3-9-17(11-15(18)19)16-13(8-10-20-17)12-6-4-5-7-14(12)21-16/h4-7H,2-3,8-11H2,1H3,(H,18,19)