methyl 3-chloranyl-6-[[5-(piperidin-1-ylmethyl)furan-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[5-(piperidin-1-ylmethyl)furan-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[5-(1-piperidylmethyl)furan-2-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[oxo-[5-(1-piperidinylmethyl)-2-furanyl]methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[5-(piperidinomethyl)-2-furoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)CN4CCCCC4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)CN4CCCCC4)Cl

InChI

InChI=1S/C21H21ClN2O4S/c1-27-21(26)19-18(22)15-7-5-13(11-17(15)29-19)23-20(25)16-8-6-14(28-16)12-24-9-3-2-4-10-24/h5-8,11H,2-4,9-10,12H2,1H3,(H,23,25)