3-(1-benzothiophen-2-yl)propyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-(1-benzothiophen-2-yl)propyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(benzothiophen-2-yl)propyl 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 3-(1-benzothiophen-2-yl)propyl ester IUPAC Name: 3-(1-benzothiophen-2-yl)propyl 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 3-(benzothiophen-2-yl)propyl ester Formula: C18H19FN2O2S2 MolecularWeight: 378.484063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CF)C(=O)OCCCC2=CC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(NC(=S)N1)CF)C(=O)OCCCC2=CC3=CC=CC=C3S2

InChI

InChI=1S/C18H19FN2O2S2/c1-11-16(14(10-19)21-18(24)20-11)17(22)23-8-4-6-13-9-12-5-2-3-7-15(12)25-13/h2-3,5,7,9,14H,4,6,8,10H2,1H3,(H2,20,21,24)