ethyl 2-(6-isothiocyanato-3,4-dihydro-2H-chromen-2-yl)ethanoate

Systemtic Name: ethyl 2-(6-isothiocyanato-3,4-dihydro-2H-chromen-2-yl)ethanoate Openeye Name: ethyl 2-(6-isothiocyanatochroman-2-yl)acetate CAS Name: 2-(6-isothiocyanato-3,4-dihydro-2H-1-benzopyran-2-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(6-isothiocyanato-3,4-dihydro-2H-chromen-2-yl)acetate Traditional Name: 2-(6-isothiocyanatochroman-2-yl)acetic acid ethyl ester Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCC2=C(O1)C=CC(=C2)N=C=S

Isomeric SMILES

CCOC(=O)CC1CCC2=C(O1)C=CC(=C2)N=C=S

InChI

InChI=1S/C14H15NO3S/c1-2-17-14(16)8-12-5-3-10-7-11(15-9-19)4-6-13(10)18-12/h4,6-7,12H,2-3,5,8H2,1H3