methyl 3-chloranyl-6-(pyridin-3-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(pyridin-3-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(3-pyridylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(pyridin-3-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(3-pyridylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C16H12ClN3O2S2 MolecularWeight: 377.86838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O2S2/c1-22-15(21)14-13(17)11-5-4-9(7-12(11)24-14)19-16(23)20-10-3-2-6-18-8-10/h2-8H,1H3,(H2,19,20,23)