2-[[4-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]benzoyl]amino]acetic acid Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c1-11-7-12(2)22-19(15(11)8-20)28-10-16(24)23-14-5-3-13(4-6-14)18(27)21-9-17(25)26/h3-7H,9-10H2,1-2H3,(H,21,27)(H,23,24)(H,25,26)