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

Systemtic Name: methyl 2-[(5-bromanylpyridin-2-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-bromo-2-pyridyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-bromopyridin-2-yl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-pyridyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C14H14BrN3O2S2 MolecularWeight: 400.31386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=NC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=NC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C14H14BrN3O2S2/c1-3-9-6-10(13(19)20-2)12(22-9)18-14(21)17-11-5-4-8(15)7-16-11/h4-7H,3H2,1-2H3,(H2,16,17,18,21)