methyl 3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(2-chloro-6-fluoro-benzyl)-cyclopropyl-amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H18ClFN2O3S MolecularWeight: 396.863523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN(CC2=C(C=CC=C2Cl)F)C3CC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN(CC2=C(C=CC=C2Cl)F)C3CC3

InChI

InChI=1S/C18H18ClFN2O3S/c1-25-18(24)17-15(7-8-26-17)21-16(23)10-22(11-5-6-11)9-12-13(19)3-2-4-14(12)20/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,21,23)