2-[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-6-(2-furyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]thio]-6-(2-furanyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]sulfanyl-6-(furan-2-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(2-furyl)-4-keto-2-[[(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl]thio]-1H-pyrimidine-5-carbonitrile Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NC(=O)C(=C(N2)C3=CC=CO3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC(=O)C(=C(N2)C3=CC=CO3)C#N

InChI

InChI=1S/C20H17N3O4S/c1-3-26-14-8-6-13(7-9-14)18(24)12(2)28-20-22-17(16-5-4-10-27-16)15(11-21)19(25)23-20/h4-10,12H,3H2,1-2H3,(H,22,23,25)/t12-/m0/s1