2-[3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indol-1-yl]propanoic acid

Systemtic Name: 2-[3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indol-1-yl]propanoic acid Openeye Name: 2-[3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indol-1-yl]propanoic acid CAS Name: 2-[3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-1-indolyl]propanoic acid IUPAC Name: 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)indol-1-yl]propanoic acid Traditional Name: 2-[3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indol-1-yl]propionic acid Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C=C(C2=CC=CC=C21)C(=O)C3CN(SC3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)O)N1C=C(C2=CC=CC=C21)C(=O)C3CN(SC3)C4=CN=CC=C4

InChI

InChI=1S/C20H19N3O3S/c1-13(20(25)26)22-11-17(16-6-2-3-7-18(16)22)19(24)14-10-23(27-12-14)15-5-4-8-21-9-15/h2-9,11,13-14H,10,12H2,1H3,(H,25,26)