methyl 3-chloranyl-6-(diethylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(diethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(diethylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[diethylamino(sulfanylidene)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(diethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(diethylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C15H17ClN2O2S2 MolecularWeight: 356.89068

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

Isomeric SMILES

CCN(CC)C(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

InChI

InChI=1S/C15H17ClN2O2S2/c1-4-18(5-2)15(21)17-9-6-7-10-11(8-9)22-13(12(10)16)14(19)20-3/h6-8H,4-5H2,1-3H3,(H,17,21)