7-oxidanylidene-7-[(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)-[4-(2H-1,2,3,4-tetrazol-5-yl)butyl]amino]heptanoic acid

Systemtic Name: 7-oxidanylidene-7-[(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)-[4-(2H-1,2,3,4-tetrazol-5-yl)butyl]amino]heptanoic acid Openeye Name: 7-oxo-7-[4-(2H-tetrazol-5-yl)butyl-(2-thioxo-1H-thiazolo[5,4-b]pyridin-5-yl)amino]heptanoic acid CAS Name: 7-oxo-7-[(2-sulfanylidene-1H-thiazolo[5,4-b]pyridin-5-yl)-[4-(2H-tetrazol-5-yl)butyl]amino]heptanoic acid IUPAC Name: 7-oxo-7-[(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)-[4-(2H-tetrazol-5-yl)butyl]amino]heptanoic acid Traditional Name: 7-keto-7-[4-(2H-tetrazol-5-yl)butyl-(2-thioxo-1H-thiazolo[5,4-b]pyridin-5-yl)amino]enanthic acid Formula: C18H23N7O3S2 MolecularWeight: 449.55032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC2=C1NC(=S)S2)N(CCCCC3=NNN=N3)C(=O)CCCCCC(=O)O

Isomeric SMILES

C1=CC(=NC2=C1NC(=S)S2)N(CCCCC3=NNN=N3)C(=O)CCCCCC(=O)O

InChI

InChI=1S/C18H23N7O3S2/c26-15(7-2-1-3-8-16(27)28)25(11-5-4-6-13-21-23-24-22-13)14-10-9-12-17(20-14)30-18(29)19-12/h9-10H,1-8,11H2,(H,19,29)(H,27,28)(H,21,22,23,24)