[(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [(1S)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [(1S)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H21BrN2O4S/c1-12-10-15(21)4-9-18(12)28-11-19(25)27-13(2)20(26)23-17-7-5-16(6-8-17)22-14(3)24/h4-10,13H,11H2,1-3H3,(H,22,24)(H,23,26)/t13-/m0/s1