ethyl 4-[4-[(4-chloranyl-2-methyl-phenoxy)methyl]-5-methyl-thiophen-2-yl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-[(4-chloranyl-2-methyl-phenoxy)methyl]-5-methyl-thiophen-2-yl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(4-chloro-2-methyl-phenoxy)methyl]-5-methyl-2-thienyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thiophenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[(4-chloro-2-methyl-phenoxy)methyl]-5-methyl-2-thienyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(S2)C)COC3=C(C=C(C=C3)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(S2)C)COC3=C(C=C(C=C3)Cl)C)C

InChI

InChI=1S/C21H23ClN2O4S/c1-5-27-20(25)18-12(3)23-21(26)24-19(18)17-9-14(13(4)29-17)10-28-16-7-6-15(22)8-11(16)2/h6-9,19H,5,10H2,1-4H3,(H2,23,24,26)