5-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O)C

InChI

InChI=1S/C18H17N3O4S/c1-9-10(2)14(7-19)17(20-11(9)3)26-8-16(23)21-12-4-5-15(22)13(6-12)18(24)25/h4-6,22H,8H2,1-3H3,(H,21,23)(H,24,25)