(2S)-2-[(5-bromanylthiophen-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2S)-2-[(5-bromanylthiophen-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: (2S)-2-[(5-bromothiophene-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2S)-2-[(5-bromothiophene-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[(5-bromothiophene-2-carbonyl)amino]-3-(4-hydroxyphenyl)propionate Formula: C14H11BrNO4S- MolecularWeight: 369.21044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])NC(=O)C2=CC=C(S2)Br)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)[O-])NC(=O)C2=CC=C(S2)Br)O

InChI

InChI=1S/C14H12BrNO4S/c15-12-6-5-11(21-12)13(18)16-10(14(19)20)7-8-1-3-9(17)4-2-8/h1-6,10,17H,7H2,(H,16,18)(H,19,20)/p-1/t10-/m0/s1