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

Systemtic Name: 2-[1-[4-[(4-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]ethanoic acid Openeye Name: 2-[1-[4-[(4-chlorophenyl)methylamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid CAS Name: 2-[1-[4-[(4-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid IUPAC Name: 2-[1-[4-[(4-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid Traditional Name: 2-[1-[4-[(4-chlorobenzyl)amino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]ethoxy]acetic acid Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c1-12(28-11-17(26)27)19-24-20(23-10-13-6-8-14(22)9-7-13)18-15-4-2-3-5-16(15)29-21(18)25-19/h6-9,12H,2-5,10-11H2,1H3,(H,26,27)(H,23,24,25)