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

Systemtic Name: methyl 2-[2-[(4-azanyl-2-bromanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(4-amino-2-bromo-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-amino-2-bromoanilino)-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-amino-2-bromoanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-amino-2-bromo-anilino)-2-keto-ethyl]thio]acetic acid methyl ester Formula: C11H13BrN2O3S MolecularWeight: 333.20152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrN2O3S/c1-17-11(16)6-18-5-10(15)14-9-3-2-7(13)4-8(9)12/h2-4H,5-6,13H2,1H3,(H,14,15)