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

Systemtic Name: tert-butyl (4R)-4-(heptylcarbamoyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (4R)-4-(heptylcarbamoyl)-2-(3-pyridyl)thiazolidine-3-carboxylate CAS Name: (4R)-4-[(heptylamino)-oxomethyl]-2-(3-pyridinyl)-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-4-(heptylcarbamoyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Traditional Name: (4R)-4-(heptylcarbamoyl)-2-(3-pyridyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1CSC(N1C(=O)OC(C)(C)C)C2=CN=CC=C2

Isomeric SMILES

CCCCCCCNC(=O)[C@@H]1CSC(N1C(=O)OC(C)(C)C)C2=CN=CC=C2

InChI

InChI=1S/C21H33N3O3S/c1-5-6-7-8-9-13-23-18(25)17-15-28-19(16-11-10-12-22-14-16)24(17)20(26)27-21(2,3)4/h10-12,14,17,19H,5-9,13,15H2,1-4H3,(H,23,25)/t17-,19?/m0/s1