5-[2-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanylethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[(3-cyano-6-isopropyl-2-pyridyl)thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C18H17N3O4S/c1-10(2)14-5-3-11(8-19)17(21-14)26-9-16(23)20-12-4-6-15(22)13(7-12)18(24)25/h3-7,10,22H,9H2,1-2H3,(H,20,23)(H,24,25)