5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)pyridin-3-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)pyridin-3-yl]pyridine-3-carboxylic acid Openeye Name: 5-[4-(4-tert-butylthiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridyl]pyridine-3-carboxylic acid CAS Name: 5-[4-(4-tert-butyl-2-thiazolyl)-6-(ethylcarbamoylamino)-3-pyridinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)pyridin-3-yl]pyridine-3-carboxylic acid Traditional Name: 5-[4-(4-tert-butylthiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridyl]nicotinic acid Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC=C(C(=C1)C2=NC(=CS2)C(C)(C)C)C3=CC(=CN=C3)C(=O)O

Isomeric SMILES

CCNC(=O)NC1=NC=C(C(=C1)C2=NC(=CS2)C(C)(C)C)C3=CC(=CN=C3)C(=O)O

InChI

InChI=1S/C21H23N5O3S/c1-5-23-20(29)26-17-7-14(18-25-16(11-30-18)21(2,3)4)15(10-24-17)12-6-13(19(27)28)9-22-8-12/h6-11H,5H2,1-4H3,(H,27,28)(H2,23,24,26,29)