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

Systemtic Name: 2-(1-propyl-5-thiophen-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-[1-propyl-5-(2-thienyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-(1-propyl-5-thiophen-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(1-propyl-5-thiophen-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-[1-propyl-5-(2-thienyl)-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(C=CC=C3N2)C4=CC=CS4)CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(C=CC=C3N2)C4=CC=CS4)CC(=O)O

InChI

InChI=1S/C20H21NO3S/c1-2-9-20(12-17(22)23)19-14(8-10-24-20)18-13(16-7-4-11-25-16)5-3-6-15(18)21-19/h3-7,11,21H,2,8-10,12H2,1H3,(H,22,23)