ethyl 2-methyl-5-[(4-methylphenyl)carbonyl-naphthalen-2-ylsulfonyl-amino]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[(4-methylphenyl)carbonyl-naphthalen-2-ylsulfonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-[(4-methylbenzoyl)-(2-naphthylsulfonyl)amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[[(4-methylphenyl)-oxomethyl]-(2-naphthalenylsulfonyl)amino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[2-naphthylsulfonyl(p-toluoyl)amino]benzofuran-3-carboxylic acid ethyl ester Formula: C30H25NO6S MolecularWeight: 527.5876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C30H25NO6S/c1-4-36-30(33)28-20(3)37-27-16-14-24(18-26(27)28)31(29(32)22-11-9-19(2)10-12-22)38(34,35)25-15-13-21-7-5-6-8-23(21)17-25/h5-18H,4H2,1-3H3