methyl (6S)-3-[(4-fluorophenyl)methyl]-4-methyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3-[(4-fluorophenyl)methyl]-4-methyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-[(4-fluorophenyl)methyl]-4-methyl-6-(2-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-[(4-fluorophenyl)methyl]-4-methyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-[(4-fluorophenyl)methyl]-4-methyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(4-fluorobenzyl)-4-methyl-6-(2-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H17FN2O2S2 MolecularWeight: 376.468183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CC2=CC=C(C=C2)F)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1CC2=CC=C(C=C2)F)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C18H17FN2O2S2/c1-11-15(17(22)23-2)16(14-4-3-9-25-14)20-18(24)21(11)10-12-5-7-13(19)8-6-12/h3-9,16H,10H2,1-2H3,(H,20,24)/t16-/m1/s1