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

Systemtic Name: 2-[[4-[(2-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]ethanoic acid Openeye Name: 2-[[4-[(2-chlorophenyl)methylamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetic acid CAS Name: 2-[[4-[(2-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetic acid IUPAC Name: 2-[[4-[(2-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetic acid Traditional Name: 2-[[4-[(2-chlorobenzyl)amino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methylsulfinyl]acetic acid Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CS(=O)CC(=O)O)NCC4=CC=CC=C4Cl

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CS(=O)CC(=O)O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C20H20ClN3O3S2/c21-14-7-3-1-5-12(14)9-22-19-18-13-6-2-4-8-15(13)28-20(18)24-16(23-19)10-29(27)11-17(25)26/h1,3,5,7H,2,4,6,8-11H2,(H,25,26)(H,22,23,24)