[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C18H18FNO3S/c19-13-6-4-7-14(10-13)20-17(21)11-23-18(22)16-9-12-5-2-1-3-8-15(12)24-16/h4,6-7,9-10H,1-3,5,8,11H2,(H,20,21)