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

Systemtic Name: methyl 3-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]-2-methyl-benzoate Openeye Name: methyl 3-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-[(4-bromophenyl)methylthio]-1-oxoethyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-[(4-bromobenzyl)thio]acetyl]amino]-2-methyl-benzoic acid methyl ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CSCC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CSCC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C18H18BrNO3S/c1-12-15(18(22)23-2)4-3-5-16(12)20-17(21)11-24-10-13-6-8-14(19)9-7-13/h3-9H,10-11H2,1-2H3,(H,20,21)