ethyl 5-[[3-(phenylsulfonylmethyl)furan-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[[3-(phenylsulfonylmethyl)furan-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[3-(benzenesulfonylmethyl)-2-furanyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[3-(besylmethyl)-2-furoyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C23H19NO6S2 MolecularWeight: 469.53006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H19NO6S2/c1-2-29-23(26)20-13-16-12-17(8-9-19(16)31-20)24-22(25)21-15(10-11-30-21)14-32(27,28)18-6-4-3-5-7-18/h3-13H,2,14H2,1H3,(H,24,25)