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

Systemtic Name: ethyl 2-(butanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(butanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(butanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(butyrylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCC(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC

InChI

InChI=1S/C15H17N3O3S2/c1-3-5-12(19)17-14(22)18-15-16-10-7-6-9(8-11(10)23-15)13(20)21-4-2/h6-8H,3-5H2,1-2H3,(H2,16,17,18,19,22)