methyl 3-(2-azanyl-4-bromanyl-phenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-(2-azanyl-4-bromanyl-phenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 3-(2-amino-4-bromo-phenyl)sulfanyl-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[(2-amino-4-bromophenyl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(2-amino-4-bromophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-[(2-amino-4-bromo-phenyl)thio]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C15H21BrN2O4S MolecularWeight: 405.30724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)Br)N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)Br)N)C(=O)OC

InChI

InChI=1S/C15H21BrN2O4S/c1-15(2,3)22-14(20)18-11(13(19)21-4)8-23-12-6-5-9(16)7-10(12)17/h5-7,11H,8,17H2,1-4H3,(H,18,20)