2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]ethanoate

Systemtic Name: 2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]ethanoate Openeye Name: 2-[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]ethoxy]acetate CAS Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]acetate IUPAC Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]acetate Traditional Name: 2-[1-[4-[(3-chloro-4-methoxy-benzyl)amino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]ethoxy]acetate Formula: C22H23ClN3O4S- MolecularWeight: 460.95372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O4S/c1-12(30-11-18(27)28)20-25-21(24-10-13-7-8-16(29-2)15(23)9-13)19-14-5-3-4-6-17(14)31-22(19)26-20/h7-9,12H,3-6,10-11H2,1-2H3,(H,27,28)(H,24,25,26)/p-1