methyl 2-isothiocyanatopentanoate

Systemtic Name: methyl 2-isothiocyanatopentanoate Openeye Name: methyl 2-isothiocyanatopentanoate CAS Name: 2-isothiocyanatopentanoic acid methyl ester IUPAC Name: methyl 2-isothiocyanatopentanoate Traditional Name: 2-isothiocyanatovaleric acid methyl ester Formula: C7H11NO2S MolecularWeight: 173.23274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC)N=C=S

Isomeric SMILES

CCCC(C(=O)OC)N=C=S

InChI

InChI=1S/C7H11NO2S/c1-3-4-6(8-5-11)7(9)10-2/h6H,3-4H2,1-2H3