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

Systemtic Name: 2-chloranyl-5-[2-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[(3-cyano-6-isopropyl-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3S/c1-10(2)15-6-3-11(8-20)17(22-15)26-9-16(23)21-12-4-5-14(19)13(7-12)18(24)25/h3-7,10H,9H2,1-2H3,(H,21,23)(H,24,25)