ethyl 2-[[(2R)-1-oxidanylbutan-2-yl]carbamothioylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[[(2R)-1-oxidanylbutan-2-yl]carbamothioylamino]pyridine-3-carboxylate Openeye Name: ethyl 2-[[(1R)-1-(hydroxymethyl)propyl]carbamothioylamino]pyridine-3-carboxylate CAS Name: 2-[[[[(2R)-1-hydroxybutan-2-yl]amino]-sulfanylidenemethyl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2R)-1-hydroxybutan-2-yl]carbamothioylamino]pyridine-3-carboxylate Traditional Name: 2-[[(1R)-1-methylolpropyl]thiocarbamoylamino]nicotinic acid ethyl ester Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=S)NC1=C(C=CC=N1)C(=O)OCC

Isomeric SMILES

CC[C@H](CO)NC(=S)NC1=C(C=CC=N1)C(=O)OCC

InChI

InChI=1S/C13H19N3O3S/c1-3-9(8-17)15-13(20)16-11-10(6-5-7-14-11)12(18)19-4-2/h5-7,9,17H,3-4,8H2,1-2H3,(H2,14,15,16,20)/t9-/m1/s1