ethyl 4-[[4-azanyl-5-(2-fluorophenyl)carbonyl-2-(furan-2-ylmethylamino)thiophen-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-azanyl-5-(2-fluorophenyl)carbonyl-2-(furan-2-ylmethylamino)thiophen-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-amino-5-(2-fluorobenzoyl)-2-(2-furylmethylamino)thiophene-3-carbonyl]amino]benzoate CAS Name: 4-[[[4-amino-5-[(2-fluorophenyl)-oxomethyl]-2-(2-furanylmethylamino)-3-thiophenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-5-(2-fluorobenzoyl)-2-(furan-2-ylmethylamino)thiophene-3-carbonyl]amino]benzoate Traditional Name: 4-[[4-amino-5-(2-fluorobenzoyl)-2-(2-furfurylamino)thiophene-3-carbonyl]amino]benzoic acid ethyl ester Formula: C26H22FN3O5S MolecularWeight: 507.533383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC(=C2N)C(=O)C3=CC=CC=C3F)NCC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC(=C2N)C(=O)C3=CC=CC=C3F)NCC4=CC=CO4

InChI

InChI=1S/C26H22FN3O5S/c1-2-34-26(33)15-9-11-16(12-10-15)30-24(32)20-21(28)23(22(31)18-7-3-4-8-19(18)27)36-25(20)29-14-17-6-5-13-35-17/h3-13,29H,2,14,28H2,1H3,(H,30,32)