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

Systemtic Name: methyl 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C13H16BrNO4S/c1-8-5-9(14)3-4-11(8)20-7-12(17)15-10(6-16)13(18)19-2/h3-5,10,16H,6-7H2,1-2H3,(H,15,17)