[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C16H12FNO4S MolecularWeight: 333.334183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)OCC(=O)NCC3=CC=CO3)F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)OCC(=O)NCC3=CC=CO3)F

InChI

InChI=1S/C16H12FNO4S/c17-12-4-1-5-13-11(12)7-14(23-13)16(20)22-9-15(19)18-8-10-3-2-6-21-10/h1-7H,8-9H2,(H,18,19)