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

Systemtic Name: methyl 5-[5-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentyl]thiophene-2-carboxylate Openeye Name: methyl 5-[5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentyl]thiophene-2-carboxylate CAS Name: 5-[5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]pentyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentyl]thiophene-2-carboxylate Traditional Name: 5-[5-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]pentyl]thiophene-2-carboxylic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-26-20(25)18-12-11-16(28-18)10-6-3-7-13-27-21-22-17(14-19(24)23-21)15-8-4-2-5-9-15/h2,4-5,8-9,11-12,14H,3,6-7,10,13H2,1H3,(H,22,23,24)