4-[5-bromanyl-6-(propan-2-ylamino)pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-[5-bromanyl-6-(propan-2-ylamino)pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-[[5-bromo-6-(isopropylamino)-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[[5-bromo-6-(propan-2-ylamino)-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-[5-bromo-6-(propan-2-ylamino)pyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-[[5-bromo-6-(isopropylamino)-3-pyridyl]sulfonyl]-5-(methylthio)-2-thenoic acid Formula: C14H15BrN2O4S3 MolecularWeight: 451.3789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=N1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)SC)Br

Isomeric SMILES

CC(C)NC1=C(C=C(C=N1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)SC)Br

InChI

InChI=1S/C14H15BrN2O4S3/c1-7(2)17-12-9(15)4-8(6-16-12)24(20,21)11-5-10(13(18)19)23-14(11)22-3/h4-7H,1-3H3,(H,16,17)(H,18,19)