2-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-ethoxy-phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-ethoxy-phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-ethoxy-phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxyphenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-ethoxyphenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxy-phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C26H25ClN2O3S2 MolecularWeight: 513.0713

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCCSC5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCCSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H25ClN2O3S2/c1-2-31-21-15-16(7-12-20(21)32-13-14-33-18-10-8-17(27)9-11-18)24-28-25(30)23-19-5-3-4-6-22(19)34-26(23)29-24/h7-12,15H,2-6,13-14H2,1H3,(H,28,29,30)