2-[(E)-2-(4-methoxyphenyl)-1-phenyl-ethenyl]-4-(2-pyrrolidin-1-ylethoxy)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 2-[(E)-2-(4-methoxyphenyl)-1-phenyl-ethenyl]-4-(2-pyrrolidin-1-ylethoxy)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 2-[(E)-2-(4-methoxyphenyl)-1-phenyl-vinyl]-4-(2-pyrrolidin-1-ylethoxy)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 2-[(E)-2-(4-methoxyphenyl)-1-phenylethenyl]-4-[2-(1-pyrrolidinyl)ethoxy]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 2-[(E)-2-(4-methoxyphenyl)-1-phenylethenyl]-4-(2-pyrrolidin-1-ylethoxy)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 2-[(E)-2-(4-methoxyphenyl)-1-phenyl-vinyl]-4-(2-pyrrolidinoethoxy)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C31H33N3O2S MolecularWeight: 511.67762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C2=CC=CC=C2)C3=NC(=C4C5=C(CCCC5)SC4=N3)OCCN6CCCC6

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C3=NC(=C4C5=C(CCCC5)SC4=N3)OCCN6CCCC6

InChI

InChI=1S/C31H33N3O2S/c1-35-24-15-13-22(14-16-24)21-26(23-9-3-2-4-10-23)29-32-30(36-20-19-34-17-7-8-18-34)28-25-11-5-6-12-27(25)37-31(28)33-29/h2-4,9-10,13-16,21H,5-8,11-12,17-20H2,1H3/b26-21+