ethyl 2-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-chloro-4-fluoro-anilino)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-chloro-4-fluoroanilino)-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-chloro-4-fluoro-anilino)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H18ClFN2O3S MolecularWeight: 384.852823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CNC2=CC(=C(C=C2)F)Cl)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CNC2=CC(=C(C=C2)F)Cl)C(=O)OCC

InChI

InChI=1S/C17H18ClFN2O3S/c1-3-11-8-12(17(23)24-4-2)16(25-11)21-15(22)9-20-10-5-6-14(19)13(18)7-10/h5-8,20H,3-4,9H2,1-2H3,(H,21,22)