ethyl 2-[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C13H13BrN2O3S2 MolecularWeight: 389.28792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=C(C=C(C=C1)SC#N)Br

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=C(C=C(C=C1)SC#N)Br

InChI

InChI=1S/C13H13BrN2O3S2/c1-2-19-13(18)7-20-6-12(17)16-11-4-3-9(21-8-15)5-10(11)14/h3-5H,2,6-7H2,1H3,(H,16,17)