[2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-[[2-(cyclopropylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(C)CC(=O)NC1CC1)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N(C)CC(=O)NC1CC1)SC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O4S/c1-12(24-14-6-4-3-5-7-14)17(22)23-11-16(21)19(2)10-15(20)18-13-8-9-13/h3-7,12-13H,8-11H2,1-2H3,(H,18,20)/t12-/m1/s1