ethyl (2R)-3-azanylidene-2-[[2,5-bis(chloranyl)phenyl]carbamothioyl]butanoate

Systemtic Name: ethyl (2R)-3-azanylidene-2-[[2,5-bis(chloranyl)phenyl]carbamothioyl]butanoate Openeye Name: ethyl (2R)-2-[(2,5-dichlorophenyl)carbamothioyl]-3-imino-butanoate CAS Name: (2R)-2-[(2,5-dichloroanilino)-sulfanylidenemethyl]-3-iminobutanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(2,5-dichlorophenyl)carbamothioyl]-3-iminobutanoate Traditional Name: (2R)-2-[(2,5-dichlorophenyl)thiocarbamoyl]-3-imino-butyric acid ethyl ester Formula: C13H14Cl2N2O2S MolecularWeight: 333.23346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=N)C)C(=S)NC1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

CCOC(=O)[C@@H](C(=N)C)C(=S)NC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C13H14Cl2N2O2S/c1-3-19-13(18)11(7(2)16)12(20)17-10-6-8(14)4-5-9(10)15/h4-6,11,16H,3H2,1-2H3,(H,17,20)/t11-/m0/s1