(2S)-2-[(4-oxidanylidene-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: (2S)-2-[(4-oxidanylidene-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: (2S)-2-[(5-allyl-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: (2S)-2-[(4-oxo-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: (2S)-2-[(4-oxo-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: (2S)-2-[(5-allyl-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propionic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC=C

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC=C

InChI

InChI=1S/C16H16N2O3S/c1-3-7-12-13(11-8-5-4-6-9-11)17-16(18-14(12)19)22-10(2)15(20)21/h3-6,8-10H,1,7H2,2H3,(H,20,21)(H,17,18,19)/t10-/m0/s1