2-([1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-([1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(benzothiopheno[2,3-d]pyrimidin-4-ylsulfanyl)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-([1]benzothiolo[2,3-d]pyrimidin-4-ylthio)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-([1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(benzothiopheno[2,3-d]pyrimidin-4-ylthio)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)CSC3=NC=NC4=C3C5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)CSC3=NC=NC4=C3C5=CC=CC=C5S4

InChI

InChI=1S/C27H25N3O2S2/c1-17-14-22(18(2)30(17)13-12-19-8-10-20(32-3)11-9-19)23(31)15-33-26-25-21-6-4-5-7-24(21)34-27(25)29-16-28-26/h4-11,14,16H,12-13,15H2,1-3H3