2-[[(4Z)-5-ethanoyl-6-methyl-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]-3-methyl-butanoic acid

Systemtic Name: 2-[[(4Z)-5-ethanoyl-6-methyl-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]-3-methyl-butanoic acid Openeye Name: 2-[[(4Z)-5-acetyl-6-methyl-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]-3-methyl-butanoic acid CAS Name: 2-[[(4Z)-5-acetyl-6-methyl-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-2-yl]thio]-3-methylbutanoic acid IUPAC Name: 2-[[(4Z)-5-acetyl-6-methyl-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]sulfanyl]-3-methylbutanoic acid Traditional Name: 2-[[(4Z)-5-acetyl-4-(6-ketocyclohexa-2,4-dien-1-ylidene)-6-methyl-1H-pyrimidin-2-yl]thio]-3-methyl-butyric acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c1-9(2)16(17(23)24)25-18-19-10(3)14(11(4)21)15(20-18)12-7-5-6-8-13(12)22/h5-9,16H,1-4H3,(H,19,20)(H,23,24)/b15-12-