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

Systemtic Name: methyl 3-chloranyl-6-(oxolan-2-ylmethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(tetrahydrofuran-2-ylmethylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(oxolan-2-ylmethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(tetrahydrofurfurylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C16H17ClN2O3S2 MolecularWeight: 384.90078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCC3CCCO3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCC3CCCO3)Cl

InChI

InChI=1S/C16H17ClN2O3S2/c1-21-15(20)14-13(17)11-5-4-9(7-12(11)24-14)19-16(23)18-8-10-3-2-6-22-10/h4-5,7,10H,2-3,6,8H2,1H3,(H2,18,19,23)