ethyl N-[2-oxidanylidene-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-7-yl]carbamate

Systemtic Name: ethyl N-[2-oxidanylidene-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-7-yl]carbamate Openeye Name: ethyl N-[2-oxo-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-7-yl]carbamate CAS Name: N-[2-oxo-4-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-oxo-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-7-yl]carbamate Traditional Name: N-[2-keto-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]chromen-7-yl]carbamic acid ethyl ester Formula: C18H14F3N3O4S MolecularWeight: 425.38167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C18H14F3N3O4S/c1-2-27-17(26)23-11-3-4-12-10(7-15(25)28-13(12)8-11)9-29-16-22-6-5-14(24-16)18(19,20)21/h3-8H,2,9H2,1H3,(H,23,26)