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

Systemtic Name: methyl 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-2-methyl-propanoate Openeye Name: methyl 2-(isothiochroman-4-ylamino)-2-methyl-propanoate CAS Name: 2-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-2-methylpropanoate Traditional Name: 2-(isothiochroman-4-ylamino)-2-methyl-propionic acid methyl ester Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC1CSCC2=CC=CC=C12

Isomeric SMILES

CC(C)(C(=O)OC)NC1CSCC2=CC=CC=C12

InChI

InChI=1S/C14H19NO2S/c1-14(2,13(16)17-3)15-12-9-18-8-10-6-4-5-7-11(10)12/h4-7,12,15H,8-9H2,1-3H3