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

Systemtic Name: 4-(1-methyl-3,4-dihydro-[1]benzothiolo[2,3-c]pyran-1-yl)butanoic acid Openeye Name: 4-(1-methyl-3,4-dihydrobenzothiopheno[2,3-c]pyran-1-yl)butanoic acid CAS Name: 4-(1-methyl-3,4-dihydro-[1]benzothiolo[2,3-c]pyran-1-yl)butanoic acid IUPAC Name: 4-(1-methyl-3,4-dihydro-[1]benzothiolo[2,3-c]pyran-1-yl)butanoic acid Traditional Name: 4-(1-methyl-3,4-dihydrobenzothiopheno[2,3-c]pyran-1-yl)butyric acid Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(CCO1)C3=CC=CC=C3S2)CCCC(=O)O

Isomeric SMILES

CC1(C2=C(CCO1)C3=CC=CC=C3S2)CCCC(=O)O

InChI

InChI=1S/C16H18O3S/c1-16(9-4-7-14(17)18)15-12(8-10-19-16)11-5-2-3-6-13(11)20-15/h2-3,5-6H,4,7-10H2,1H3,(H,17,18)