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

Systemtic Name: ethyl 2-methyl-5-[naphthalen-2-ylsulfonyl-(3-nitrophenyl)carbonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-naphthylsulfonyl-(3-nitrobenzoyl)amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[2-naphthalenylsulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[naphthalen-2-ylsulfonyl-(3-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[2-naphthylsulfonyl-(3-nitrobenzoyl)amino]benzofuran-3-carboxylic acid ethyl ester Formula: C29H22N2O8S MolecularWeight: 558.55858

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H22N2O8S/c1-3-38-29(33)27-18(2)39-26-14-12-22(17-25(26)27)30(28(32)21-9-6-10-23(15-21)31(34)35)40(36,37)24-13-11-19-7-4-5-8-20(19)16-24/h4-17H,3H2,1-2H3