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

Systemtic Name: ethyl 2-[2-[(4-azanyl-2-bromanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(4-amino-2-bromo-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-amino-2-bromoanilino)-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-amino-2-bromoanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-amino-2-bromo-anilino)-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C12H15BrN2O3S MolecularWeight: 347.2281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O3S/c1-2-18-12(17)7-19-6-11(16)15-10-4-3-8(14)5-9(10)13/h3-5H,2,6-7,14H2,1H3,(H,15,16)