ethyl 3-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-4-(ethylamino)benzoate

Systemtic Name: ethyl 3-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-4-(ethylamino)benzoate Openeye Name: ethyl 3-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-4-(ethylamino)benzoate CAS Name: 3-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-(ethylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-4-(ethylamino)benzoate Traditional Name: 3-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-4-(ethylamino)benzoic acid ethyl ester Formula: C20H18ClFN2O3S MolecularWeight: 420.884923

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C20H18ClFN2O3S/c1-3-23-14-8-5-11(20(26)27-4-2)9-15(14)24-19(25)18-17(21)13-7-6-12(22)10-16(13)28-18/h5-10,23H,3-4H2,1-2H3,(H,24,25)