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

Systemtic Name: ethyl 2-[2-(2-chloroethylamino)ethoxycarbonylamino]-4-methylsulfanyl-butanoate hydrochloride Openeye Name: ethyl 2-[2-(2-chloroethylamino)ethoxycarbonylamino]-4-methylsulfanyl-butanoate hydrochloride CAS Name: 2-[[2-(2-chloroethylamino)ethoxy-oxomethyl]amino]-4-(methylthio)butanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[2-(2-chloroethylamino)ethoxycarbonylamino]-4-methylsulfanylbutanoate hydrochloride Traditional Name: 2-[2-(2-chloroethylamino)ethoxycarbonylamino]-4-(methylthio)butyric acid ethyl ester hydrochloride Formula: C12H24Cl2N2O4S MolecularWeight: 363.30096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23ClN2O4S.ClH/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);1H