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

Systemtic Name: methyl (2S)-2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H20BrNO3S/c1-13-10-15(20)8-9-17(13)25-12-18(22)21-16(19(23)24-2)11-14-6-4-3-5-7-14/h3-10,16H,11-12H2,1-2H3,(H,21,22)/t16-/m0/s1