4,5-dihydro-1,3-thiazol-3-ium-2-amine; 2-(phenylsulfonyl)ethanoate

Systemtic Name: 4,5-dihydro-1,3-thiazol-3-ium-2-amine; 2-(phenylsulfonyl)ethanoate Openeye Name: 2-(benzenesulfonyl)acetate; 4,5-dihydrothiazol-3-ium-2-amine CAS Name: 2-(benzenesulfonyl)acetate; 4,5-dihydrothiazol-3-ium-2-amine IUPAC Name: 2-(benzenesulfonyl)acetate; 4,5-dihydro-1,3-thiazol-3-ium-2-amine Traditional Name: 2-besylacetate; 2-thiazolin-3-ium-2-ylamine Formula: C11H14N2O4S2 MolecularWeight: 302.36986

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[NH+]1)N.C1=CC=C(C=C1)S(=O)(=O)CC(=O)[O-]

Isomeric SMILES

C1CSC(=[NH+]1)N.C1=CC=C(C=C1)S(=O)(=O)CC(=O)[O-]

InChI

InChI=1S/C8H8O4S.C3H6N2S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7;4-3-5-1-2-6-3/h1-5H,6H2,(H,9,10);1-2H2,(H2,4,5)