2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-4-pyridyl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pyridinyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-4-pyridyl]methylthio]nicotinic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C17H19N3O4S/c1-17(2,3)24-16(23)20-13-9-11(6-8-18-13)10-25-14-12(15(21)22)5-4-7-19-14/h4-9H,10H2,1-3H3,(H,21,22)(H,18,20,23)