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

Systemtic Name: tert-butyl 4-(3-methylsulfanylpropylcarbamoyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl 4-(3-methylsulfanylpropylcarbamoyl)-2-(3-pyridyl)thiazolidine-3-carboxylate CAS Name: 4-[[3-(methylthio)propylamino]-oxomethyl]-2-(3-pyridinyl)-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-methylsulfanylpropylcarbamoyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Traditional Name: 4-[3-(methylthio)propylcarbamoyl]-2-(3-pyridyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CSC1C2=CN=CC=C2)C(=O)NCCCSC

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CSC1C2=CN=CC=C2)C(=O)NCCCSC

InChI

InChI=1S/C18H27N3O3S2/c1-18(2,3)24-17(23)21-14(15(22)20-9-6-10-25-4)12-26-16(21)13-7-5-8-19-11-13/h5,7-8,11,14,16H,6,9-10,12H2,1-4H3,(H,20,22)