methyl (2S)-2-[(5-bromanyl-2-phenyl-1,3-thiazol-4-yl)methyl-(phenylsulfonyl)amino]propanoate

Systemtic Name: methyl (2S)-2-[(5-bromanyl-2-phenyl-1,3-thiazol-4-yl)methyl-(phenylsulfonyl)amino]propanoate Openeye Name: methyl (2S)-2-[benzenesulfonyl-[(5-bromo-2-phenyl-thiazol-4-yl)methyl]amino]propanoate CAS Name: (2S)-2-[benzenesulfonyl-[(5-bromo-2-phenyl-4-thiazolyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzenesulfonyl-[(5-bromo-2-phenyl-1,3-thiazol-4-yl)methyl]amino]propanoate Traditional Name: (2S)-2-[besyl-[(5-bromo-2-phenyl-thiazol-4-yl)methyl]amino]propionic acid methyl ester Formula: C20H19BrN2O4S2 MolecularWeight: 495.40986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(CC1=C(SC(=N1)C2=CC=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OC)N(CC1=C(SC(=N1)C2=CC=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19BrN2O4S2/c1-14(20(24)27-2)23(29(25,26)16-11-7-4-8-12-16)13-17-18(21)28-19(22-17)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3/t14-/m0/s1