2-(4-phenyl-2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)ethanoic acid

Systemtic Name: 2-(4-phenyl-2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)ethanoic acid Openeye Name: 2-[4-phenyl-2-(2-thienyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-(4-phenyl-2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)acetic acid IUPAC Name: 2-(4-phenyl-2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)acetic acid Traditional Name: 2-[4-phenyl-2-(2-thienyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridin-3-yl]acetic acid Formula: C23H19NO2S2 MolecularWeight: 405.53246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(C(=C(N=C3S2)C4=CC=CS4)CC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(C(=C(N=C3S2)C4=CC=CS4)CC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C23H19NO2S2/c25-19(26)13-16-20(14-7-2-1-3-8-14)21-15-9-4-5-10-17(15)28-23(21)24-22(16)18-11-6-12-27-18/h1-3,6-8,11-12H,4-5,9-10,13H2,(H,25,26)