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

Systemtic Name: 2-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C24H21ClN2O3S MolecularWeight: 452.95314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCC5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H21ClN2O3S/c1-29-19-12-15(8-11-18(19)30-13-14-6-9-16(25)10-7-14)22-26-23(28)21-17-4-2-3-5-20(17)31-24(21)27-22/h6-12H,2-5,13H2,1H3,(H,26,27,28)