methyl 3-[[2-azanyl-4,5-bis(chloranyl)phenyl]amino]thiolane-3-carboxylate

Systemtic Name: methyl 3-[[2-azanyl-4,5-bis(chloranyl)phenyl]amino]thiolane-3-carboxylate Openeye Name: methyl 3-(2-amino-4,5-dichloro-anilino)tetrahydrothiophene-3-carboxylate CAS Name: 3-(2-amino-4,5-dichloroanilino)-3-thiolanecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-amino-4,5-dichloroanilino)thiolane-3-carboxylate Traditional Name: 3-(2-amino-4,5-dichloro-anilino)tetrahydrothiophene-3-carboxylic acid methyl ester Formula: C12H14Cl2N2O2S MolecularWeight: 321.22276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCSC1)NC2=CC(=C(C=C2N)Cl)Cl

Isomeric SMILES

COC(=O)C1(CCSC1)NC2=CC(=C(C=C2N)Cl)Cl

InChI

InChI=1S/C12H14Cl2N2O2S/c1-18-11(17)12(2-3-19-6-12)16-10-5-8(14)7(13)4-9(10)15/h4-5,16H,2-3,6,15H2,1H3