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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1CCSC2=CC=CC=C12

Isomeric SMILES

COC(=O)CCNC1CCSC2=CC=CC=C12

InChI

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