methyl 2-[2-(4-bromophenyl)sulfanylethanoylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 2-[2-(4-bromophenyl)sulfanylethanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-chloro-benzoate CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-chlorobenzoate Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C16H13BrClNO3S MolecularWeight: 414.70132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H13BrClNO3S/c1-22-16(21)13-7-4-11(18)8-14(13)19-15(20)9-23-12-5-2-10(17)3-6-12/h2-8H,9H2,1H3,(H,19,20)