2-[2-acetyloxyethyl(3-isothiocyanatopropyl)amino]ethyl ethanoate

Systemtic Name: 2-[2-acetyloxyethyl(3-isothiocyanatopropyl)amino]ethyl ethanoate Openeye Name: 2-[2-acetoxyethyl(3-isothiocyanatopropyl)amino]ethyl acetate CAS Name: acetic acid 2-[2-acetyloxyethyl(3-isothiocyanatopropyl)amino]ethyl ester IUPAC Name: 2-[2-acetyloxyethyl(3-isothiocyanatopropyl)amino]ethyl acetate Traditional Name: acetic acid 2-[2-acetoxyethyl(3-isothiocyanatopropyl)amino]ethyl ester Formula: C12H20N2O4S MolecularWeight: 288.3632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(CCCN=C=S)CCOC(=O)C

Isomeric SMILES

CC(=O)OCCN(CCCN=C=S)CCOC(=O)C

InChI

InChI=1S/C12H20N2O4S/c1-11(15)17-8-6-14(5-3-4-13-10-19)7-9-18-12(2)16/h3-9H2,1-2H3