methyl 1-[1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]aziridine-2-carboxylate

Systemtic Name: methyl 1-[1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]aziridine-2-carboxylate Openeye Name: methyl 1-[1-(benzylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]aziridine-2-carboxylate CAS Name: 1-[1-ethoxy-1-oxo-3-(phenylmethylthio)propan-2-yl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-benzylsulfanyl-1-ethoxy-1-oxopropan-2-yl)aziridine-2-carboxylate Traditional Name: 1-[1-[(benzylthio)methyl]-2-ethoxy-2-keto-ethyl]ethylenimine-2-carboxylic acid methyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)N2CC2C(=O)OC

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)N2CC2C(=O)OC

InChI

InChI=1S/C16H21NO4S/c1-3-21-16(19)14(17-9-13(17)15(18)20-2)11-22-10-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3