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

Systemtic Name: 2-[1-[4-[(3,4-dimethoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]ethanoic acid Openeye Name: 2-[1-[4-[(3,4-dimethoxyphenyl)methylamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid CAS Name: 2-[1-[4-[(3,4-dimethoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid IUPAC Name: 2-[1-[4-[(3,4-dimethoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid Traditional Name: 2-[1-[4-(veratrylamino)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=C2C3=C(CCCC3)SC2=N1)NCC4=CC(=C(C=C4)OC)OC)OCC(=O)O

Isomeric SMILES

CC(C1=NC(=C2C3=C(CCCC3)SC2=N1)NCC4=CC(=C(C=C4)OC)OC)OCC(=O)O

InChI

InChI=1S/C23H27N3O5S/c1-13(31-12-19(27)28)21-25-22(20-15-6-4-5-7-18(15)32-23(20)26-21)24-11-14-8-9-16(29-2)17(10-14)30-3/h8-10,13H,4-7,11-12H2,1-3H3,(H,27,28)(H,24,25,26)