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

Systemtic Name: methyl 2-(2-methoxyethylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2-methoxyethylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(2-methoxyethylamino)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-methoxyethylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-methoxyethylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S2/c1-18-6-5-14-12(20)16-13-15-9-4-3-8(11(17)19-2)7-10(9)21-13/h3-4,7H,5-6H2,1-2H3,(H2,14,15,16,20)