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

Systemtic Name: ethyl 4-[4-[(4-fluorophenyl)sulfanylmethyl]-5-methyl-thiophen-2-yl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(4-fluorophenyl)sulfanylmethyl]-5-methyl-2-thienyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[[(4-fluorophenyl)thio]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-fluorophenyl)sulfanylmethyl]-5-methylthiophen-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[[(4-fluorophenyl)thio]methyl]-5-methyl-2-thienyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21FN2O3S2 MolecularWeight: 420.520743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(S2)C)CSC3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(S2)C)CSC3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H21FN2O3S2/c1-4-26-19(24)17-11(2)22-20(25)23-18(17)16-9-13(12(3)28-16)10-27-15-7-5-14(21)6-8-15/h5-9,18H,4,10H2,1-3H3,(H2,22,23,25)