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

Systemtic Name: methyl 3-chloranyl-6-[[5-(pyrrolidin-1-ylmethyl)furan-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[oxo-[5-(1-pyrrolidinylmethyl)-2-furanyl]methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[5-(pyrrolidinomethyl)-2-furoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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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)CN4CCCC4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)CN4CCCC4)Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-26-20(25)18-17(21)14-6-4-12(10-16(14)28-18)22-19(24)15-7-5-13(27-15)11-23-8-2-3-9-23/h4-7,10H,2-3,8-9,11H2,1H3,(H,22,24)