methyl (2S)-2-azanyl-2-(6-bromanyl-1-ethanoyl-indol-3-yl)ethanoate

Systemtic Name: methyl (2S)-2-azanyl-2-(6-bromanyl-1-ethanoyl-indol-3-yl)ethanoate Openeye Name: methyl (2S)-2-(1-acetyl-6-bromo-indol-3-yl)-2-amino-acetate CAS Name: (2S)-2-(1-acetyl-6-bromo-3-indolyl)-2-aminoacetic acid methyl ester IUPAC Name: methyl (2S)-2-(1-acetyl-6-bromoindol-3-yl)-2-aminoacetate Traditional Name: (2S)-2-(1-acetyl-6-bromo-indol-3-yl)-2-amino-acetic acid methyl ester Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=C1C=C(C=C2)Br)C(C(=O)OC)N

Isomeric SMILES

CC(=O)N1C=C(C2=C1C=C(C=C2)Br)[C@@H](C(=O)OC)N

InChI

InChI=1S/C13H13BrN2O3/c1-7(17)16-6-10(12(15)13(18)19-2)9-4-3-8(14)5-11(9)16/h3-6,12H,15H2,1-2H3/t12-/m0/s1