4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(pyridin-3-ylcarbonylamino)butanethioic S-acid

Systemtic Name: 4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(pyridin-3-ylcarbonylamino)butanethioic S-acid Openeye Name: 4-tert-butoxy-4-oxo-2-(pyridine-3-carbonylamino)butanethioic S-acid CAS Name: 4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[oxo(3-pyridinyl)methyl]amino]butanethioic S-acid IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pyridine-3-carbonylamino)butanethioic S-acid Traditional Name: 4-tert-butoxy-4-keto-2-nicotinamido-thiobutyric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)S)NC(=O)C1=CN=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)CC(C(=O)S)NC(=O)C1=CN=CC=C1

InChI

InChI=1S/C14H18N2O4S/c1-14(2,3)20-11(17)7-10(13(19)21)16-12(18)9-5-4-6-15-8-9/h4-6,8,10H,7H2,1-3H3,(H,16,18)(H,19,21)