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

Systemtic Name: 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(2-oxo-1,3-benzothiazol-3-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-(2-oxo-1,3-benzothiazol-3-yl)propyl ester IUPAC Name: 3-(2-oxo-1,3-benzothiazol-3-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-(2-keto-1,3-benzothiazol-3-yl)propyl ester Formula: C17H18FN3O3S2 MolecularWeight: 395.471523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CF)C(=O)OCCCN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CC1=C(C(NC(=S)N1)CF)C(=O)OCCCN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C17H18FN3O3S2/c1-10-14(11(9-18)20-16(25)19-10)15(22)24-8-4-7-21-12-5-2-3-6-13(12)26-17(21)23/h2-3,5-6,11H,4,7-9H2,1H3,(H2,19,20,25)