ethyl 3-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(4-bromophenyl)methylthio]-1-oxoethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(4-bromobenzyl)thio]acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CSCC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CSCC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H20BrNO3S/c1-3-24-19(23)15-7-4-13(2)17(10-15)21-18(22)12-25-11-14-5-8-16(20)9-6-14/h4-10H,3,11-12H2,1-2H3,(H,21,22)