methyl 3-chloranyl-6-(pyrrolidin-1-ylcarbothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(pyrrolidin-1-ylcarbothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(pyrrolidine-1-carbothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(pyrrolidine-1-carbothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(pyrrolidine-1-carbothioylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C15H15ClN2O2S2 MolecularWeight: 354.8748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCCC3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCCC3)Cl

InChI

InChI=1S/C15H15ClN2O2S2/c1-20-14(19)13-12(16)10-5-4-9(8-11(10)22-13)17-15(21)18-6-2-3-7-18/h4-5,8H,2-3,6-7H2,1H3,(H,17,21)