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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1CSCC2=CC=CC=C12

Isomeric SMILES

COC(=O)CCNC1CSCC2=CC=CC=C12

InChI

InChI=1S/C13H17NO2S/c1-16-13(15)6-7-14-12-9-17-8-10-4-2-3-5-11(10)12/h2-5,12,14H,6-9H2,1H3