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

Systemtic Name: 2-[2-[4-[(2-methoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]ethanoic acid Openeye Name: 2-[2-[4-[(2-methoxyphenyl)methylamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid CAS Name: 2-[2-[4-[(2-methoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid IUPAC Name: 2-[2-[4-[(2-methoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid Traditional Name: 2-[2-[4-(o-anisylamino)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=C3C4=C(CCCC4)SC3=NC(=N2)CCOCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1CNC2=C3C4=C(CCCC4)SC3=NC(=N2)CCOCC(=O)O

InChI

InChI=1S/C22H25N3O4S/c1-28-16-8-4-2-6-14(16)12-23-21-20-15-7-3-5-9-17(15)30-22(20)25-18(24-21)10-11-29-13-19(26)27/h2,4,6,8H,3,5,7,9-13H2,1H3,(H,26,27)(H,23,24,25)