5-[(3-azanyl-6-propyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(3-azanyl-6-propyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[(3-amino-6-propyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-chloro-benzoic acid CAS Name: 5-[[(3-amino-6-propyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-2-chlorobenzoic acid Traditional Name: 5-[(3-amino-6-propyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-chloro-benzoic acid Formula: C18H16ClN3O3S MolecularWeight: 389.85594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O)N

Isomeric SMILES

CCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O)N

InChI

InChI=1S/C18H16ClN3O3S/c1-2-3-9-4-6-11-14(20)15(26-17(11)22-9)16(23)21-10-5-7-13(19)12(8-10)18(24)25/h4-8H,2-3,20H2,1H3,(H,21,23)(H,24,25)