(2S)-2-[2-[(4-ethoxyphenyl)methylsulfanyl]-4-methyl-6-oxidanidyl-pyrimidin-5-yl]propanoate

Systemtic Name: (2S)-2-[2-[(4-ethoxyphenyl)methylsulfanyl]-4-methyl-6-oxidanidyl-pyrimidin-5-yl]propanoate Openeye Name: (2S)-2-[2-[(4-ethoxyphenyl)methylsulfanyl]-4-methyl-6-oxido-pyrimidin-5-yl]propanoate CAS Name: (2S)-2-[2-[(4-ethoxyphenyl)methylthio]-4-methyl-6-oxido-5-pyrimidinyl]propanoate IUPAC Name: (2S)-2-[2-[(4-ethoxyphenyl)methylsulfanyl]-4-methyl-6-oxidopyrimidin-5-yl]propanoate Traditional Name: (2S)-2-[2-[(4-ethoxybenzyl)thio]-4-methyl-6-oxido-pyrimidin-5-yl]propionate Formula: C17H18N2O4S-2 MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC2=NC(=C(C(=N2)[O-])C(C)C(=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC2=NC(=C(C(=N2)[O-])[C@H](C)C(=O)[O-])C

InChI

InChI=1S/C17H20N2O4S/c1-4-23-13-7-5-12(6-8-13)9-24-17-18-11(3)14(15(20)19-17)10(2)16(21)22/h5-8,10H,4,9H2,1-3H3,(H,21,22)(H,18,19,20)/p-2/t10-/m0/s1