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

Systemtic Name: methyl 2-(3,4-dihydro-2H-thiochromen-4-ylamino)-4-methyl-pentanoate Openeye Name: methyl 4-methyl-2-(thiochroman-4-ylamino)pentanoate CAS Name: 2-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-2H-thiochromen-4-ylamino)-4-methylpentanoate Traditional Name: 4-methyl-2-(thiochroman-4-ylamino)valeric acid methyl ester Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC1CCSC2=CC=CC=C12

Isomeric SMILES

CC(C)CC(C(=O)OC)NC1CCSC2=CC=CC=C12

InChI

InChI=1S/C16H23NO2S/c1-11(2)10-14(16(18)19-3)17-13-8-9-20-15-7-5-4-6-12(13)15/h4-7,11,13-14,17H,8-10H2,1-3H3