2-[1-[4-[(4-methylphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]ethanoic acid

Systemtic Name: 2-[1-[4-[(4-methylphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]ethanoic acid Openeye Name: 2-[1-[4-(p-tolylmethylamino)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid CAS Name: 2-[1-[4-[(4-methylphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid IUPAC Name: 2-[1-[4-[(4-methylphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid Traditional Name: 2-[1-[4-[(4-methylbenzyl)amino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C3C4=C(CCCC4)SC3=NC(=N2)C(C)OCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C3C4=C(CCCC4)SC3=NC(=N2)C(C)OCC(=O)O

InChI

InChI=1S/C22H25N3O3S/c1-13-7-9-15(10-8-13)11-23-21-19-16-5-3-4-6-17(16)29-22(19)25-20(24-21)14(2)28-12-18(26)27/h7-10,14H,3-6,11-12H2,1-2H3,(H,26,27)(H,23,24,25)