1-methyl-3-(3-pentanoyl-1,2-benzothiazol-5-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-(3-pentanoyl-1,2-benzothiazol-5-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 1-methyl-3-(3-pentanoyl-1,2-benzothiazol-5-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 1-methyl-3-[3-(1-oxopentyl)-1,2-benzothiazol-5-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-(3-pentanoyl-1,2-benzothiazol-5-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 1-methyl-6-(trifluoromethyl)-3-(3-valeryl-1,2-benzothiazol-5-yl)pyrimidine-2,4-quinone Formula: C18H16F3N3O3S MolecularWeight: 411.39815

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=NSC2=C1C=C(C=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F

Isomeric SMILES

CCCCC(=O)C1=NSC2=C1C=C(C=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O3S/c1-3-4-5-12(25)16-11-8-10(6-7-13(11)28-22-16)24-15(26)9-14(18(19,20)21)23(2)17(24)27/h6-9H,3-5H2,1-2H3