tert-butyl (4R)-4-(4-chloranylindol-1-yl)carbonyl-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl (4R)-4-(4-chloranylindol-1-yl)carbonyl-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (4R)-4-(4-chloroindole-1-carbonyl)-2-(3-pyridyl)thiazolidine-3-carboxylate CAS Name: (4R)-4-[(4-chloro-1-indolyl)-oxomethyl]-2-(3-pyridinyl)-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-4-(4-chloroindole-1-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Traditional Name: (4R)-4-(4-chloroindole-1-carbonyl)-2-(3-pyridyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CSC1C2=CN=CC=C2)C(=O)N3C=CC4=C3C=CC=C4Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](CSC1C2=CN=CC=C2)C(=O)N3C=CC4=C3C=CC=C4Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-22(2,3)29-21(28)26-18(13-30-20(26)14-6-5-10-24-12-14)19(27)25-11-9-15-16(23)7-4-8-17(15)25/h4-12,18,20H,13H2,1-3H3/t18-,20?/m0/s1