ethyl 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(2-chloro-6-fluorophenyl)methylthio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(2-chloro-6-fluoro-benzyl)thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H17ClFNO3S2 MolecularWeight: 401.903183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C)NC(=O)CSCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C)NC(=O)CSCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H17ClFNO3S2/c1-3-23-17(22)15-10(2)7-25-16(15)20-14(21)9-24-8-11-12(18)5-4-6-13(11)19/h4-7H,3,8-9H2,1-2H3,(H,20,21)