(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C16H15ClN4O3S MolecularWeight: 378.8333

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=C(SN=N3)Cl

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC3=C(SN=N3)Cl

InChI

InChI=1S/C16H15ClN4O3S/c1-9(22)19-13(16(23)24-8-14-15(17)25-21-20-14)6-10-7-18-12-5-3-2-4-11(10)12/h2-5,7,13,18H,6,8H2,1H3,(H,19,22)/t13-/m0/s1