methyl 5-[5-[[6-(3-cyanophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[5-[[6-(3-cyanophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate Openeye Name: methyl 5-[5-[[6-(3-cyanophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate CAS Name: 5-[5-[[6-(3-cyanophenyl)-4-oxo-1H-pyrimidin-2-yl]thio]pentyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[5-[[6-(3-cyanophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate Traditional Name: 5-[5-[[6-(3-cyanophenyl)-4-keto-1H-pyrimidin-2-yl]thio]pentyl]thiophene-2-carboxylic acid methyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)CCCCCSC2=NC(=O)C=C(N2)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(S1)CCCCCSC2=NC(=O)C=C(N2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H21N3O3S2/c1-28-21(27)19-10-9-17(30-19)8-3-2-4-11-29-22-24-18(13-20(26)25-22)16-7-5-6-15(12-16)14-23/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,24,25,26)