ethyl (2S)-2-[bis(2-chloroethyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl (2S)-2-[bis(2-chloroethyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: ethyl (2S)-2-[bis(2-chloroethyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[bis(2-chloroethyl)amino-oxomethyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[bis(2-chloroethyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[bis(2-chloroethyl)carbamoylamino]-4-(methylthio)butyric acid ethyl ester Formula: C12H22Cl2N2O3S MolecularWeight: 345.28568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)N(CCCl)CCCl

Isomeric SMILES

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

InChI

InChI=1S/C12H22Cl2N2O3S/c1-3-19-11(17)10(4-9-20-2)15-12(18)16(7-5-13)8-6-14/h10H,3-9H2,1-2H3,(H,15,18)/t10-/m0/s1