2-[5-(4-methylsulfanylphenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-(4-methylsulfanylphenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-(4-methylsulfanylphenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-[4-(methylthio)phenyl]-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-(4-methylsulfanylphenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[5-[4-(methylthio)phenyl]-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(C=CC=C3N2)C4=CC=C(C=C4)SC)CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(C=CC=C3N2)C4=CC=C(C=C4)SC)CC(=O)O

InChI

InChI=1S/C23H25NO3S/c1-3-12-23(14-20(25)26)22-18(11-13-27-23)21-17(5-4-6-19(21)24-22)15-7-9-16(28-2)10-8-15/h4-10,24H,3,11-14H2,1-2H3,(H,25,26)