2-(5-chloranyl-2-methoxy-phenyl)ethyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)ethyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(5-chloro-2-methoxy-phenyl)ethyl 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(5-chloro-2-methoxyphenyl)ethyl ester IUPAC Name: 2-(5-chloro-2-methoxyphenyl)ethyl 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(5-chloro-2-methoxy-phenyl)ethyl ester Formula: C16H18ClFN2O3S MolecularWeight: 372.842123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CF)C(=O)OCCC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)CF)C(=O)OCCC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C16H18ClFN2O3S/c1-9-14(12(8-18)20-16(24)19-9)15(21)23-6-5-10-7-11(17)3-4-13(10)22-2/h3-4,7,12H,5-6,8H2,1-2H3,(H2,19,20,24)