methyl 5-[(4-chlorophenyl)methylcarbamothioyl]-4-sulfanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-[(4-chlorophenyl)methylcarbamothioyl]-4-sulfanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(4-chlorophenyl)methylcarbamothioyl]-4-thioxo-7H-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 5-[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]-4-sulfanylidene-7H-thieno[2,3-b]pyridine-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[(4-chlorophenyl)methylcarbamothioyl]-4-sulfanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(4-chlorobenzyl)thiocarbamoyl]-4-thioxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C17H13ClN2O2S3 MolecularWeight: 408.94532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)NC=C(C2=S)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(S1)NC=C(C2=S)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2O2S3/c1-22-17(21)13-6-11-14(23)12(8-20-16(11)25-13)15(24)19-7-9-2-4-10(18)5-3-9/h2-6,8H,7H2,1H3,(H,19,24)(H,20,23)