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

Systemtic Name: methyl 5-[5-[[4-oxidanylidene-6-(4-phenoxyphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate Openeye Name: methyl 5-[5-[[4-oxo-6-(4-phenoxyphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate CAS Name: 5-[5-[[4-oxo-6-(4-phenoxyphenyl)-1H-pyrimidin-2-yl]thio]pentyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[5-[[4-oxo-6-(4-phenoxyphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]thiophene-2-carboxylate Traditional Name: 5-[5-[[4-keto-6-(4-phenoxyphenyl)-1H-pyrimidin-2-yl]thio]pentyl]thiophene-2-carboxylic acid methyl ester Formula: C27H26N2O4S2 MolecularWeight: 506.63634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)CCCCCSC2=NC(=O)C=C(N2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(S1)CCCCCSC2=NC(=O)C=C(N2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4S2/c1-32-26(31)24-16-15-22(35-24)10-6-3-7-17-34-27-28-23(18-25(30)29-27)19-11-13-21(14-12-19)33-20-8-4-2-5-9-20/h2,4-5,8-9,11-16,18H,3,6-7,10,17H2,1H3,(H,28,29,30)