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

Systemtic Name: methyl 5-[3-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propyl]thiophene-2-carboxylate Openeye Name: methyl 5-[3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propyl]thiophene-2-carboxylate CAS Name: 5-[3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propyl]thiophene-2-carboxylate Traditional Name: 5-[3-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propyl]thiophene-2-carboxylic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)CCCSC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(S1)CCCSC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S2/c1-24-18(23)16-10-9-14(26-16)8-5-11-25-19-20-15(12-17(22)21-19)13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,21,22)