2-[[(4Z)-5-ethanoyl-6-methyl-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[(4Z)-5-ethanoyl-6-methyl-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[(4Z)-5-acetyl-6-methyl-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[(4Z)-5-acetyl-6-methyl-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 2-[[(4Z)-5-acetyl-6-methyl-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[(4Z)-5-acetyl-4-(6-ketocyclohexa-2,4-dien-1-ylidene)-6-methyl-1H-pyrimidin-2-yl]thio]propionic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC=CC2=O)N=C(N1)SC(C)C(=O)O)C(=O)C

Isomeric SMILES

CC1=C(/C(=C/2\C=CC=CC2=O)/N=C(N1)SC(C)C(=O)O)C(=O)C

InChI

InChI=1S/C16H16N2O4S/c1-8-13(9(2)19)14(11-6-4-5-7-12(11)20)18-16(17-8)23-10(3)15(21)22/h4-7,10H,1-3H3,(H,17,18)(H,21,22)/b14-11-