phenyl N-[[8-chloranyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]sulfanylmethyl]carbamate

Systemtic Name: phenyl N-[[8-chloranyl-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]sulfanylmethyl]carbamate Openeye Name: phenyl N-[[8-chloro-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]sulfanylmethyl]carbamate CAS Name: N-[[[8-chloro-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]thio]methyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[[8-chloro-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]sulfanylmethyl]carbamate Traditional Name: N-[[[8-chloro-6-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]thio]methyl]carbamic acid phenyl ester Formula: C17H12ClF3N2O3S MolecularWeight: 416.80199

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(O1)C(=CC(=C2)C(F)(F)F)Cl)SCNC(=O)OC3=CC=CC=C3

Isomeric SMILES

C1C(=NC2=C(O1)C(=CC(=C2)C(F)(F)F)Cl)SCNC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H12ClF3N2O3S/c18-12-6-10(17(19,20)21)7-13-15(12)25-8-14(23-13)27-9-22-16(24)26-11-4-2-1-3-5-11/h1-7H,8-9H2,(H,22,24)