6-[(5-methylsulfanyl-2-phenylmethoxy-phenyl)carbonylamino]pyridine-3-carboxylic acid

Systemtic Name: 6-[(5-methylsulfanyl-2-phenylmethoxy-phenyl)carbonylamino]pyridine-3-carboxylic acid Openeye Name: 6-[(2-benzyloxy-5-methylsulfanyl-benzoyl)amino]pyridine-3-carboxylic acid CAS Name: 6-[[[5-(methylthio)-2-phenylmethoxyphenyl]-oxomethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5-methylsulfanyl-2-phenylmethoxybenzoyl)amino]pyridine-3-carboxylic acid Traditional Name: 6-[[2-benzoxy-5-(methylthio)benzoyl]amino]nicotinic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H18N2O4S/c1-28-16-8-9-18(27-13-14-5-3-2-4-6-14)17(11-16)20(24)23-19-10-7-15(12-22-19)21(25)26/h2-12H,13H2,1H3,(H,25,26)(H,22,23,24)