2-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[2-[tert-butoxycarbonyl(methyl)amino]-4-pyridyl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pyridinyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[2-[tert-butoxycarbonyl(methyl)amino]-4-pyridyl]methylthio]nicotinic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C18H21N3O4S/c1-18(2,3)25-17(24)21(4)14-10-12(7-9-19-14)11-26-15-13(16(22)23)6-5-8-20-15/h5-10H,11H2,1-4H3,(H,22,23)