ethyl (2S)-2-[2-(2-chloroethylamino)ethoxycarbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl (2S)-2-[2-(2-chloroethylamino)ethoxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: ethyl (2S)-2-[2-(2-chloroethylamino)ethoxycarbonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(2-chloroethylamino)ethoxy-oxomethyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[2-(2-chloroethylamino)ethoxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[2-(2-chloroethylamino)ethoxycarbonylamino]-4-(methylthio)butyric acid ethyl ester Formula: C12H23ClN2O4S MolecularWeight: 326.84002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)OCCNCCCl

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NC(=O)OCCNCCCl

InChI

InChI=1S/C12H23ClN2O4S/c1-3-18-11(16)10(4-9-20-2)15-12(17)19-8-7-14-6-5-13/h10,14H,3-9H2,1-2H3,(H,15,17)/t10-/m0/s1