ethyl 2-(ethanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(ethanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(acetylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[acetamido(sulfanylidene)methyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(acetylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(acetylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C

InChI

InChI=1S/C13H13N3O3S2/c1-3-19-11(18)8-4-5-9-10(6-8)21-13(15-9)16-12(20)14-7(2)17/h4-6H,3H2,1-2H3,(H2,14,15,16,17,20)