2,2,2-tris(fluoranyl)ethyl 2-chloranyl-5-(propan-2-yloxycarbothioylamino)benzoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 2-chloranyl-5-(propan-2-yloxycarbothioylamino)benzoate Openeye Name: 2,2,2-trifluoroethyl 2-chloro-5-(isopropoxycarbothioylamino)benzoate CAS Name: 2-chloro-5-[[propan-2-yloxy(sulfanylidene)methyl]amino]benzoic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate Traditional Name: 2-chloro-5-(isopropoxycarbothioylamino)benzoic acid 2,2,2-trifluoroethyl ester Formula: C13H13ClF3NO3S MolecularWeight: 355.76043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OCC(F)(F)F

Isomeric SMILES

CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OCC(F)(F)F

InChI

InChI=1S/C13H13ClF3NO3S/c1-7(2)21-12(22)18-8-3-4-10(14)9(5-8)11(19)20-6-13(15,16)17/h3-5,7H,6H2,1-2H3,(H,18,22)