2-methoxyethyl 4-oxidanylidene-4-[[2,4,5-tris(chloranyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[2,4,5-tris(chloranyl)phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[(2,4,5-trichlorophenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[sulfanylidene-(2,4,5-trichloroanilino)methyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[(2,4,5-trichlorophenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(2,4,5-trichlorophenyl)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C14H15Cl3N2O4S MolecularWeight: 413.7039

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1Cl)Cl)Cl

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C14H15Cl3N2O4S/c1-22-4-5-23-13(21)3-2-12(20)19-14(24)18-11-7-9(16)8(15)6-10(11)17/h6-7H,2-5H2,1H3,(H2,18,19,20,24)