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

Systemtic Name: 2-[2-[2-(2-methylphenoxy)ethoxy]-5-nitro-phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-[2-(2-methylphenoxy)ethoxy]-5-nitro-phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[2-[2-(2-methylphenoxy)ethoxy]-5-nitrophenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-[2-(2-methylphenoxy)ethoxy]-5-nitrophenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[2-[2-(2-methylphenoxy)ethoxy]-5-nitro-phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C25H23N3O5S MolecularWeight: 477.53222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOC2=C(C=C(C=C2)[N+](=O)[O-])C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

Isomeric SMILES

CC1=CC=CC=C1OCCOC2=C(C=C(C=C2)[N+](=O)[O-])C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

InChI

InChI=1S/C25H23N3O5S/c1-15-6-2-4-8-19(15)32-12-13-33-20-11-10-16(28(30)31)14-18(20)23-26-24(29)22-17-7-3-5-9-21(17)34-25(22)27-23/h2,4,6,8,10-11,14H,3,5,7,9,12-13H2,1H3,(H,26,27,29)