4,5-dimethyl-2-(2-pyridin-4-ylsulfanylethanoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4,5-dimethyl-2-(2-pyridin-4-ylsulfanylethanoylamino)thiophene-3-carboxylic acid Openeye Name: 4,5-dimethyl-2-[[2-(4-pyridylsulfanyl)acetyl]amino]thiophene-3-carboxylic acid CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4,5-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylic acid Traditional Name: 4,5-dimethyl-2-[[2-(4-pyridylthio)acetyl]amino]-3-thenoic acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)CSC2=CC=NC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)CSC2=CC=NC=C2)C

InChI

InChI=1S/C14H14N2O3S2/c1-8-9(2)21-13(12(8)14(18)19)16-11(17)7-20-10-3-5-15-6-4-10/h3-6H,7H2,1-2H3,(H,16,17)(H,18,19)