ethyl 4-[[(3-chloranyl-4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[(3-chloranyl-4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]carbamoylamino]benzoate Openeye Name: ethyl 4-[[(3-chloro-4-fluoro-benzothiophene-2-carbonyl)amino]carbamoylamino]benzoate CAS Name: 4-[[[[(3-chloro-4-fluoro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]carbamoylamino]benzoate Traditional Name: 4-[[(3-chloro-4-fluoro-benzothiophene-2-carbonyl)amino]carbamoylamino]benzoic acid ethyl ester Formula: C19H15ClFN3O4S MolecularWeight: 435.856503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NNC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NNC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl

InChI

InChI=1S/C19H15ClFN3O4S/c1-2-28-18(26)10-6-8-11(9-7-10)22-19(27)24-23-17(25)16-15(20)14-12(21)4-3-5-13(14)29-16/h3-9H,2H2,1H3,(H,23,25)(H2,22,24,27)