methyl 6-[(5-bromanylpyridin-2-yl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[(5-bromanylpyridin-2-yl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(5-bromo-2-pyridyl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(5-bromopyridin-2-yl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(5-bromo-2-pyridyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H11BrClN3O2S2 MolecularWeight: 456.76444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=NC=C(C=C3)Br)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=NC=C(C=C3)Br)Cl

InChI

InChI=1S/C16H11BrClN3O2S2/c1-23-15(22)14-13(18)10-4-3-9(6-11(10)25-14)20-16(24)21-12-5-2-8(17)7-19-12/h2-7H,1H3,(H2,19,20,21,24)