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

Systemtic Name: 3-(3-hydroxyphenyl)-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Openeye Name: 3-(3-hydroxyphenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid CAS Name: 3-(3-hydroxyphenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)thio]-2-propenoic acid IUPAC Name: 3-(3-hydroxyphenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Traditional Name: 3-(3-hydroxyphenyl)-2-[(6-keto-4,5-dihydro-1H-pyrimidin-2-yl)thio]acrylic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4S/c16-9-3-1-2-8(6-9)7-10(12(18)19)20-13-14-5-4-11(17)15-13/h1-3,6-7,16H,4-5H2,(H,18,19)(H,14,15,17)