4-[1,1-bis(azanylidene)-1,2-thiazinan-2-yl]benzoic acid

Systemtic Name: 4-[1,1-bis(azanylidene)-1,2-thiazinan-2-yl]benzoic acid Openeye Name: 4-(1,1-diiminothiazinan-2-yl)benzoic acid CAS Name: 4-(1,1-diimino-2-thiazinanyl)benzoic acid IUPAC Name: 4-(1,1-diiminothiazinan-2-yl)benzoic acid Traditional Name: 4-(1,1-diiminothiazinan-2-yl)benzoic acid Formula: C11H15N3O2S MolecularWeight: 253.3207

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Descriptors Computed from Structure

Canonical SMILES:

C1CCS(=N)(=N)N(C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCS(=N)(=N)N(C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H15N3O2S/c12-17(13)8-2-1-7-14(17)10-5-3-9(4-6-10)11(15)16/h3-6,12-13H,1-2,7-8H2,(H,15,16)