methyl 2-[(5-bromanylpyridin-2-yl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-bromanylpyridin-2-yl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-bromo-2-pyridyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-bromopyridin-2-yl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-pyridyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H16BrN3O2S2 MolecularWeight: 414.34044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC=C(C=C2)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC=C(C=C2)Br)C

InChI

InChI=1S/C15H16BrN3O2S2/c1-4-10-8(2)23-13(12(10)14(20)21-3)19-15(22)18-11-6-5-9(16)7-17-11/h5-7H,4H2,1-3H3,(H2,17,18,19,22)