methyl 3-(5-bromanylthiophen-2-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-(5-bromanylthiophen-2-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(5-bromo-2-thienyl)propanoate CAS Name: 3-(5-bromo-2-thiophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-(5-bromothiophen-2-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(5-bromo-2-thienyl)propionic acid methyl ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(S1)Br)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CC=C(S1)Br)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16BrNO4S/c1-21-15(19)13(9-12-7-8-14(17)23-12)18-16(20)22-10-11-5-3-2-4-6-11/h2-8,13H,9-10H2,1H3,(H,18,20)