1H-indole; 2-oxidanylidene-2-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyloxy]ethanoic acid

Systemtic Name: 1H-indole; 2-oxidanylidene-2-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyloxy]ethanoic acid Openeye Name: indole; 2-oxo-2-[2-(3-pyridyl)isothiazolidine-4-carbonyl]oxy-acetic acid CAS Name: 1H-indole; 2-oxo-2-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methoxy]acetic acid IUPAC Name: 1H-indole; 2-oxo-2-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)oxyacetic acid Traditional Name: indole; 2-keto-2-[2-(3-pyridyl)isothiazolidine-4-carbonyl]oxy-acetic acid Formula: C19H17N3O5S MolecularWeight: 399.42038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CSN1C2=CN=CC=C2)C(=O)OC(=O)C(=O)O.C1=CC=C2C(=C1)C=CN2

Isomeric SMILES

C1C(CSN1C2=CN=CC=C2)C(=O)OC(=O)C(=O)O.C1=CC=C2C(=C1)C=CN2

InChI

InChI=1S/C11H10N2O5S.C8H7N/c14-9(15)11(17)18-10(16)7-5-13(19-6-7)8-2-1-3-12-4-8;1-2-4-8-7(3-1)5-6-9-8/h1-4,7H,5-6H2,(H,14,15);1-6,9H