3-[2-[[5-[(2-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]-5-nitro-benzoate

Systemtic Name: 3-[2-[[5-[(2-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]-5-nitro-benzoate Openeye Name: 3-[[2-[[5-[(2-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]-5-nitro-benzoate CAS Name: 3-[[2-[[5-[(2-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]-5-nitrobenzoate IUPAC Name: 3-[[2-[[5-[(2-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]-5-nitrobenzoate Traditional Name: 3-[[2-[[5-(2-chlorobenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]acetyl]amino]-5-nitro-benzoate Formula: C21H16ClN4O6S- MolecularWeight: 487.89294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H17ClN4O6S/c1-11-16(8-12-4-2-3-5-17(12)22)19(28)25-21(23-11)33-10-18(27)24-14-6-13(20(29)30)7-15(9-14)26(31)32/h2-7,9H,8,10H2,1H3,(H,24,27)(H,29,30)(H,23,25,28)/p-1