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

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate CAS Name: 3-[(4-fluorophenyl)methoxy]benzoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate Traditional Name: 3-(4-fluorobenzyl)oxybenzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H17FN2O5S MolecularWeight: 428.433483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C21H17FN2O5S/c22-15-6-4-13(5-7-15)11-28-16-3-1-2-14(10-16)21(27)29-12-18(25)24-20-17(19(23)26)8-9-30-20/h1-10H,11-12H2,(H2,23,26)(H,24,25)