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

Systemtic Name: methyl 2-(ethanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(acetylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[acetamido(sulfanylidene)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(acetylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(acetylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C12H11N3O3S2 MolecularWeight: 309.36404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C12H11N3O3S2/c1-6(16)13-11(19)15-12-14-8-4-3-7(10(17)18-2)5-9(8)20-12/h3-5H,1-2H3,(H2,13,14,15,16,19)