3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-[2-(phenylcarbamothioyl)hydrazinyl]propanoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-[2-(phenylcarbamothioyl)hydrazinyl]propanoic acid Openeye Name: 3-tert-butoxy-3-oxo-2-[2-(phenylcarbamothioyl)hydrazino]propanoic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]hydrazo]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]propanoic acid Traditional Name: 3-tert-butoxy-3-keto-2-[N'-(phenylthiocarbamoyl)hydrazino]propionic acid Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)O)NNC(=S)NC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)O)NNC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C14H19N3O4S/c1-14(2,3)21-12(20)10(11(18)19)16-17-13(22)15-9-7-5-4-6-8-9/h4-8,10,16H,1-3H3,(H,18,19)(H2,15,17,22)