methyl 2-(2-aminocarbonylaziridin-1-yl)-3-(benzamidomethylsulfanyl)propanoate

Systemtic Name: methyl 2-(2-aminocarbonylaziridin-1-yl)-3-(benzamidomethylsulfanyl)propanoate Openeye Name: methyl 3-(benzamidomethylsulfanyl)-2-(2-carbamoylaziridin-1-yl)propanoate CAS Name: 3-(benzamidomethylthio)-2-(2-carbamoyl-1-aziridinyl)propanoic acid methyl ester IUPAC Name: methyl 3-(benzamidomethylsulfanyl)-2-(2-carbamoylaziridin-1-yl)propanoate Traditional Name: 3-(benzamidomethylthio)-2-(2-carbamoylethylenimin-1-yl)propionic acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCNC(=O)C1=CC=CC=C1)N2CC2C(=O)N

Isomeric SMILES

COC(=O)C(CSCNC(=O)C1=CC=CC=C1)N2CC2C(=O)N

InChI

InChI=1S/C15H19N3O4S/c1-22-15(21)12(18-7-11(18)13(16)19)8-23-9-17-14(20)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H2,16,19)(H,17,20)