2-(5-cyano-8-methyl-1-propyl-3,4-dihydro-[1]benzothiolo[2,3-c]pyran-1-yl)ethanoic acid

Systemtic Name: 2-(5-cyano-8-methyl-1-propyl-3,4-dihydro-[1]benzothiolo[2,3-c]pyran-1-yl)ethanoic acid Openeye Name: 2-(5-cyano-8-methyl-1-propyl-3,4-dihydrobenzothiopheno[2,3-c]pyran-1-yl)acetic acid CAS Name: 2-(5-cyano-8-methyl-1-propyl-3,4-dihydro-[1]benzothiolo[2,3-c]pyran-1-yl)acetic acid IUPAC Name: 2-(5-cyano-8-methyl-1-propyl-3,4-dihydro-[1]benzothiolo[2,3-c]pyran-1-yl)acetic acid Traditional Name: 2-(5-cyano-8-methyl-1-propyl-3,4-dihydrobenzothiopheno[2,3-c]pyran-1-yl)acetic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(C=CC(=C3S2)C)C#N)CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(C=CC(=C3S2)C)C#N)CC(=O)O

InChI

InChI=1S/C18H19NO3S/c1-3-7-18(9-14(20)21)17-13(6-8-22-18)15-12(10-19)5-4-11(2)16(15)23-17/h4-5H,3,6-9H2,1-2H3,(H,20,21)