[2-(2-sulfanylethanoylamino)-3H-1,3-benzothiazol-2-yl] ethanoate

Systemtic Name: [2-(2-sulfanylethanoylamino)-3H-1,3-benzothiazol-2-yl] ethanoate Openeye Name: [2-[(2-sulfanylacetyl)amino]-3H-1,3-benzothiazol-2-yl] acetate CAS Name: acetic acid [2-[(2-mercapto-1-oxoethyl)amino]-3H-1,3-benzothiazol-2-yl] ester IUPAC Name: [2-[(2-sulfanylacetyl)amino]-3H-1,3-benzothiazol-2-yl] acetate Traditional Name: acetic acid [2-[(2-mercaptoacetyl)amino]-3H-1,3-benzothiazol-2-yl] ester Formula: C11H12N2O3S2 MolecularWeight: 284.35458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(NC2=CC=CC=C2S1)NC(=O)CS

Isomeric SMILES

CC(=O)OC1(NC2=CC=CC=C2S1)NC(=O)CS

InChI

InChI=1S/C11H12N2O3S2/c1-7(14)16-11(13-10(15)6-17)12-8-4-2-3-5-9(8)18-11/h2-5,12,17H,6H2,1H3,(H,13,15)