ethyl 5-[butanoyl(naphthalen-2-ylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[butanoyl(naphthalen-2-ylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[butanoyl(2-naphthylsulfonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[2-naphthalenylsulfonyl(1-oxobutyl)amino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[butanoyl(naphthalen-2-ylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl(2-naphthylsulfonyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OCC)C)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OCC)C)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H25NO6S/c1-4-8-24(28)27(34(30,31)21-13-11-18-9-6-7-10-19(18)15-21)20-12-14-23-22(16-20)25(17(3)33-23)26(29)32-5-2/h6-7,9-16H,4-5,8H2,1-3H3