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

Systemtic Name: methyl 3-chloranyl-6-(cyclopentylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(cyclopentylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(cyclopentylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(cyclopentylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(cyclopentylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C16H17ClN2O2S2 MolecularWeight: 368.90138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3CCCC3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3CCCC3)Cl

InChI

InChI=1S/C16H17ClN2O2S2/c1-21-15(20)14-13(17)11-7-6-10(8-12(11)23-14)19-16(22)18-9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,18,19,22)