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

Systemtic Name: methyl 2-(methylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(methylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[methylamino(sulfanylidene)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(methylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(methylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C11H11N3O2S2 MolecularWeight: 281.35394

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC

Isomeric SMILES

CNC(=S)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C11H11N3O2S2/c1-12-10(17)14-11-13-7-4-3-6(9(15)16-2)5-8(7)18-11/h3-5H,1-2H3,(H2,12,13,14,17)