ethyl 2-isothiocyanato-5-methyl-hex-4-enoate

Systemtic Name: ethyl 2-isothiocyanato-5-methyl-hex-4-enoate Openeye Name: ethyl 2-isothiocyanato-5-methyl-hex-4-enoate CAS Name: 2-isothiocyanato-5-methyl-4-hexenoic acid ethyl ester IUPAC Name: ethyl 2-isothiocyanato-5-methylhex-4-enoate Traditional Name: 2-isothiocyanato-5-methyl-hex-4-enoic acid ethyl ester Formula: C10H15NO2S MolecularWeight: 213.2966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=C(C)C)N=C=S

Isomeric SMILES

CCOC(=O)C(CC=C(C)C)N=C=S

InChI

InChI=1S/C10H15NO2S/c1-4-13-10(12)9(11-7-14)6-5-8(2)3/h5,9H,4,6H2,1-3H3