methyl (2S)-2-acetamido-3-[2-(2-hydroxyethylsulfanyl)-1H-indol-3-yl]propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-[2-(2-hydroxyethylsulfanyl)-1H-indol-3-yl]propanoate Openeye Name: methyl (2S)-2-acetamido-3-[2-(2-hydroxyethylsulfanyl)-1H-indol-3-yl]propanoate CAS Name: (2S)-2-acetamido-3-[2-(2-hydroxyethylthio)-1H-indol-3-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-[2-(2-hydroxyethylsulfanyl)-1H-indol-3-yl]propanoate Traditional Name: (2S)-2-acetamido-3-[2-(2-hydroxyethylthio)-1H-indol-3-yl]propionic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(NC2=CC=CC=C21)SCCO)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC1=C(NC2=CC=CC=C21)SCCO)C(=O)OC

InChI

InChI=1S/C16H20N2O4S/c1-10(20)17-14(16(21)22-2)9-12-11-5-3-4-6-13(11)18-15(12)23-8-7-19/h3-6,14,18-19H,7-9H2,1-2H3,(H,17,20)/t14-/m0/s1