2-[1-(2-hydroxyethylsulfanyl)isoindol-2-yl]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[1-(2-hydroxyethylsulfanyl)isoindol-2-yl]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[1-(2-hydroxyethylsulfanyl)isoindol-2-yl]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[1-(2-hydroxyethylthio)-2-isoindolyl]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[1-(2-hydroxyethylsulfanyl)isoindol-2-yl]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[1-(2-hydroxyethylthio)isoindol-2-yl]-3-(1H-indol-3-yl)propionic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N3C=C4C=CC=CC4=C3SCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N3C=C4C=CC=CC4=C3SCCO

InChI

InChI=1S/C21H20N2O3S/c24-9-10-27-20-17-7-2-1-5-14(17)13-23(20)19(21(25)26)11-15-12-22-18-8-4-3-6-16(15)18/h1-8,12-13,19,22,24H,9-11H2,(H,25,26)