methyl 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)ethanoate

Systemtic Name: methyl 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)ethanoate Openeye Name: methyl 2-(isothiochroman-4-ylamino)acetate CAS Name: 2-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)acetic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetate Traditional Name: 2-(isothiochroman-4-ylamino)acetic acid methyl ester Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1CSCC2=CC=CC=C12

Isomeric SMILES

COC(=O)CNC1CSCC2=CC=CC=C12

InChI

InChI=1S/C12H15NO2S/c1-15-12(14)6-13-11-8-16-7-9-4-2-3-5-10(9)11/h2-5,11,13H,6-8H2,1H3