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

Systemtic Name: 2-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C27H28N2O4S MolecularWeight: 476.58722

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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)OCCOC5=CC=C(C=C5)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCCOC5=CC=C(C=C5)C

InChI

InChI=1S/C27H28N2O4S/c1-3-31-22-16-18(10-13-21(22)33-15-14-32-19-11-8-17(2)9-12-19)25-28-26(30)24-20-6-4-5-7-23(20)34-27(24)29-25/h8-13,16H,3-7,14-15H2,1-2H3,(H,28,29,30)