[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)amino]benzoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)amino]benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 2-(4-fluoroanilino)benzoate CAS Name: 2-(4-fluoroanilino)benzoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-fluoroanilino)benzoate Traditional Name: 2-(4-fluoroanilino)benzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H16FN3O4S MolecularWeight: 413.422143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H16FN3O4S/c21-12-5-7-13(8-6-12)23-16-4-2-1-3-14(16)20(27)28-11-17(25)24-19-15(18(22)26)9-10-29-19/h1-10,23H,11H2,(H2,22,26)(H,24,25)