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

Systemtic Name: 2-[1-[4-[(3,4-dichlorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]ethanoate Openeye Name: 2-[1-[4-[(3,4-dichlorophenyl)methylamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]ethoxy]acetate CAS Name: 2-[1-[4-[(3,4-dichlorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]acetate IUPAC Name: 2-[1-[4-[(3,4-dichlorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]acetate Traditional Name: 2-[1-[4-[(3,4-dichlorobenzyl)amino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]ethoxy]acetate Formula: C21H20Cl2N3O3S- MolecularWeight: 465.3728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O3S/c1-11(29-10-17(27)28)19-25-20(24-9-12-6-7-14(22)15(23)8-12)18-13-4-2-3-5-16(13)30-21(18)26-19/h6-8,11H,2-5,9-10H2,1H3,(H,27,28)(H,24,25,26)/p-1