2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]-3-phenyl-prop-2-enoic acid

Systemtic Name: 2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]-3-phenyl-prop-2-enoic acid Openeye Name: 2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]-3-phenyl-prop-2-enoic acid CAS Name: 2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)thio]-3-phenyl-2-propenoic acid IUPAC Name: 2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]-3-phenylprop-2-enoic acid Traditional Name: 2-[(6-keto-4,5-dihydro-1H-pyrimidin-2-yl)thio]-3-phenyl-acrylic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(NC1=O)SC(=CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CN=C(NC1=O)SC(=CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H12N2O3S/c16-11-6-7-14-13(15-11)19-10(12(17)18)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)(H,14,15,16)