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

Systemtic Name: 4-[2-[[5-[(2-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[5-[(2-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-[(2-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[5-[(2-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(2-chlorobenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoate Formula: C21H17ClN3O4S- MolecularWeight: 442.89538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O4S/c1-12-16(10-14-4-2-3-5-17(14)22)19(27)25-21(23-12)30-11-18(26)24-15-8-6-13(7-9-15)20(28)29/h2-9H,10-11H2,1H3,(H,24,26)(H,28,29)(H,23,25,27)/p-1