methyl 4-[2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H17BrN2O4S/c1-25-18(24)12-2-6-14(7-3-12)20-16(22)10-26-11-17(23)21-15-8-4-13(19)5-9-15/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)