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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

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