13-(4-aminocarbonyl-2-oxidanylidene-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)-9-oxidanylidene-tridecanoic acid

Systemtic Name: 13-(4-aminocarbonyl-2-oxidanylidene-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)-9-oxidanylidene-tridecanoic acid Openeye Name: 13-(4-carbamoyl-2-oxo-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)-9-oxo-tridecanoic acid CAS Name: 13-(4-carbamoyl-2-oxo-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)-9-oxotridecanoic acid IUPAC Name: 13-(4-carbamoyl-2-oxo-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)-9-oxotridecanoic acid Traditional Name: 13-(4-carbamoyl-2-keto-3,3a,6,6a-tetrahydro-1H-thien[3,4-d]imidazol-4-yl)-9-keto-tridecanoic acid Formula: C19H31N3O5S MolecularWeight: 413.53154

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)(CCCCC(=O)CCCCCCCC(=O)O)C(=O)N)NC(=O)N2

Isomeric SMILES

C1C2C(C(S1)(CCCCC(=O)CCCCCCCC(=O)O)C(=O)N)NC(=O)N2

InChI

InChI=1S/C19H31N3O5S/c20-17(26)19(16-14(12-28-19)21-18(27)22-16)11-7-6-9-13(23)8-4-2-1-3-5-10-15(24)25/h14,16H,1-12H2,(H2,20,26)(H,24,25)(H2,21,22,27)