3-[6-methyl-2-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-2-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[2-(5-nitroindolin-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-2-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-2-(5-nitroindolin-1-yl)ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)N2CCC3=C2C=CC(=C3)[N+](=O)[O-])CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)N2CCC3=C2C=CC(=C3)[N+](=O)[O-])CCC(=O)O

InChI

InChI=1S/C18H18N4O6S/c1-10-13(3-5-16(24)25)17(26)20-18(19-10)29-9-15(23)21-7-6-11-8-12(22(27)28)2-4-14(11)21/h2,4,8H,3,5-7,9H2,1H3,(H,24,25)(H,19,20,26)