butanedioic acid; 5-hexyl-[1,2]thiazireno[2,3-a]benzimidazole

Systemtic Name: butanedioic acid; 5-hexyl-[1,2]thiazireno[2,3-a]benzimidazole Openeye Name: 5-hexylthiazireno[2,3-a]benzimidazole; succinic acid CAS Name: butanedioic acid; 5-hexylthiazirino[2,3-a]benzimidazole IUPAC Name: butanedioic acid; 5-hexylthiazireno[2,3-a]benzimidazole Traditional Name: 5-hexylthiazirino[2,3-a]benzimidazole; succinic acid Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)N=C3N2S3.C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)N=C3N2S3.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H16N2S.C4H6O4/c1-2-3-4-5-6-10-7-8-11-12(9-10)15-13(14-11)16-15;5-3(6)1-2-4(7)8/h7-9H,2-6H2,1H3;1-2H2,(H,5,6)(H,7,8)