ethyl 5-(3-fluorosulfonylphenyl)carbonyl-2-(phenoxycarbonylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(3-fluorosulfonylphenyl)carbonyl-2-(phenoxycarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(3-fluorosulfonylbenzoyl)-2-(phenoxycarbonylamino)thiophene-3-carboxylate CAS Name: 5-[(3-fluorosulfonylphenyl)-oxomethyl]-2-[[oxo(phenoxy)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-fluorosulfonylbenzoyl)-2-(phenoxycarbonylamino)thiophene-3-carboxylate Traditional Name: 2-(carbophenoxyamino)-5-(3-fluorosulfonylbenzoyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H16FNO7S2 MolecularWeight: 477.482643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)F)NC(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)F)NC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H16FNO7S2/c1-2-29-20(25)16-12-17(18(24)13-7-6-10-15(11-13)32(22,27)28)31-19(16)23-21(26)30-14-8-4-3-5-9-14/h3-12H,2H2,1H3,(H,23,26)