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

Systemtic Name: methyl 3-chloranyl-6-[(2-chloranylpyridin-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-chloro-3-pyridyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-chloropyridin-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2-chloro-3-pyridyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H11Cl2N3O2S2 MolecularWeight: 412.31344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Cl2N3O2S2/c1-23-15(22)13-12(17)9-5-4-8(7-11(9)25-13)20-16(24)21-10-3-2-6-19-14(10)18/h2-7H,1H3,(H2,20,21,24)