5-chloranyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]pyridine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]pyridine-4-carboxylic acid Openeye Name: 2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-chloro-pyridine-4-carboxylic acid CAS Name: 5-chloro-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylthio]-4-pyridinecarboxylic acid IUPAC Name: 5-chloro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]pyridine-4-carboxylic acid Traditional Name: 2-[2-(tert-butoxycarbonylamino)ethylthio]-5-chloro-isonicotinic acid Formula: C13H17ClN2O4S MolecularWeight: 332.80308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSC1=NC=C(C(=C1)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCSC1=NC=C(C(=C1)C(=O)O)Cl

InChI

InChI=1S/C13H17ClN2O4S/c1-13(2,3)20-12(19)15-4-5-21-10-6-8(11(17)18)9(14)7-16-10/h6-7H,4-5H2,1-3H3,(H,15,19)(H,17,18)