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

Systemtic Name: methyl (2S)-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanoate Openeye Name: methyl (2S)-2-(isothiochroman-4-ylamino)propanoate CAS Name: (2S)-2-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanoate Traditional Name: (2S)-2-(isothiochroman-4-ylamino)propionic acid methyl ester Formula: C13H17NO2S MolecularWeight: 251.34458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OC)NC1CSCC2=CC=CC=C12

InChI

InChI=1S/C13H17NO2S/c1-9(13(15)16-2)14-12-8-17-7-10-5-3-4-6-11(10)12/h3-6,9,12,14H,7-8H2,1-2H3/t9-,12?/m0/s1