3-methyl-4-(2-pyridin-4-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 3-methyl-4-(2-pyridin-4-ylsulfanylethanoylamino)benzoic acid Openeye Name: 3-methyl-4-[[2-(4-pyridylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-methyl-4-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(2-pyridin-4-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 3-methyl-4-[[2-(4-pyridylthio)acetyl]amino]benzoic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=CC=NC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C15H14N2O3S/c1-10-8-11(15(19)20)2-3-13(10)17-14(18)9-21-12-4-6-16-7-5-12/h2-8H,9H2,1H3,(H,17,18)(H,19,20)