methyl 1-[3-(benzamidomethylsulfanyl)-1-methoxy-1-oxidanylidene-propan-2-yl]aziridine-2-carboxylate

Systemtic Name: methyl 1-[3-(benzamidomethylsulfanyl)-1-methoxy-1-oxidanylidene-propan-2-yl]aziridine-2-carboxylate Openeye Name: methyl 1-[1-(benzamidomethylsulfanylmethyl)-2-methoxy-2-oxo-ethyl]aziridine-2-carboxylate CAS Name: 1-[3-(benzamidomethylthio)-1-methoxy-1-oxopropan-2-yl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(benzamidomethylsulfanyl)-1-methoxy-1-oxopropan-2-yl]aziridine-2-carboxylate Traditional Name: 1-[1-[(benzamidomethylthio)methyl]-2-keto-2-methoxy-ethyl]ethylenimine-2-carboxylic acid methyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN1C(CSCNC(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1CN1C(CSCNC(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H20N2O5S/c1-22-15(20)12-8-18(12)13(16(21)23-2)9-24-10-17-14(19)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,17,19)