methyl 2-[3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indol-1-yl]propanoate

Systemtic Name: methyl 2-[3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indol-1-yl]propanoate Openeye Name: methyl 2-[3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indol-1-yl]propanoate CAS Name: 2-[3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-1-indolyl]propanoic acid methyl ester IUPAC Name: methyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)indol-1-yl]propanoate Traditional Name: 2-[3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indol-1-yl]propionic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-14(21(26)27-2)23-12-18(17-7-3-4-8-19(17)23)20(25)15-11-24(28-13-15)16-6-5-9-22-10-16/h3-10,12,14-15H,11,13H2,1-2H3