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

Systemtic Name: methyl 3-chloranyl-6-(pyridin-3-ylmethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(3-pyridylmethylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(pyridin-3-ylmethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(3-pyridylmethylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C17H14ClN3O2S2 MolecularWeight: 391.89496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCC3=CN=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C17H14ClN3O2S2/c1-23-16(22)15-14(18)12-5-4-11(7-13(12)25-15)21-17(24)20-9-10-3-2-6-19-8-10/h2-8H,9H2,1H3,(H2,20,21,24)