ethyl 4-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(4-bromo-3-chloro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-bromo-3-chloroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-3-chlorophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-bromo-3-chloro-phenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C13H14BrClN2O3S MolecularWeight: 393.68386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)Br)Cl

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1)Br)Cl

InChI

InChI=1S/C13H14BrClN2O3S/c1-2-20-12(19)6-5-11(18)17-13(21)16-8-3-4-9(14)10(15)7-8/h3-4,7H,2,5-6H2,1H3,(H2,16,17,18,21)