methyl 2-[[4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate CAS Name: 2-[[[4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate Traditional Name: 2-[[4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H20ClN3O5S/c1-10-16(19(27)24-14-7-5-4-6-12(14)20(28)30-3)17(25-21(31)23-10)11-8-13(22)18(26)15(9-11)29-2/h4-9,17,26H,1-3H3,(H,24,27)(H2,23,25,31)