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

Systemtic Name: 2-[[(4Z)-5-ethanoyl-6-methyl-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[(4Z)-5-acetyl-6-methyl-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[(4Z)-5-acetyl-6-methyl-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[(4Z)-5-acetyl-6-methyl-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[(4Z)-5-acetyl-4-(6-ketocyclohexa-2,4-dien-1-ylidene)-6-methyl-1H-pyrimidin-2-yl]thio]acetic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4S/c1-8-13(9(2)18)14(10-5-3-4-6-11(10)19)17-15(16-8)22-7-12(20)21/h3-6H,7H2,1-2H3,(H,16,17)(H,20,21)/b14-10-