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

Systemtic Name: 2-[[(4Z)-5-ethanoyl-6-methyl-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]butanoic acid Openeye Name: 2-[[(4Z)-5-acetyl-6-methyl-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]butanoic acid CAS Name: 2-[[(4Z)-5-acetyl-6-methyl-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-2-yl]thio]butanoic acid IUPAC Name: 2-[[(4Z)-5-acetyl-6-methyl-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]butanoic acid Traditional Name: 2-[[(4Z)-5-acetyl-4-(6-ketocyclohexa-2,4-dien-1-ylidene)-6-methyl-1H-pyrimidin-2-yl]thio]butyric acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=C2C=CC=CC2=O)C(=C(N1)C)C(=O)C

Isomeric SMILES

CCC(C(=O)O)SC1=N/C(=C\2/C=CC=CC2=O)/C(=C(N1)C)C(=O)C

InChI

InChI=1S/C17H18N2O4S/c1-4-13(16(22)23)24-17-18-9(2)14(10(3)20)15(19-17)11-7-5-6-8-12(11)21/h5-8,13H,4H2,1-3H3,(H,18,19)(H,22,23)/b15-11-