dimethyl 5-[(5-bromanylpyridin-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[(5-bromanylpyridin-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(5-bromo-2-pyridyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-bromopyridin-2-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(5-bromo-2-pyridyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H14BrN3O4S2 MolecularWeight: 444.32336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C15H14BrN3O4S2/c1-7-10(13(20)22-2)12(25-11(7)14(21)23-3)19-15(24)18-9-5-4-8(16)6-17-9/h4-6H,1-3H3,(H2,17,18,19,24)