methyl 3-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C18H18BrNO3S/c1-11-4-5-13(18(22)23-3)9-15(11)20-17(21)10-24-16-7-6-14(19)8-12(16)2/h4-9H,10H2,1-3H3,(H,20,21)