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

Systemtic Name: methyl 2-(3,4-dihydro-2H-thiochromen-4-ylamino)-3-methyl-butanoate Openeye Name: methyl 3-methyl-2-(thiochroman-4-ylamino)butanoate CAS Name: 2-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-2H-thiochromen-4-ylamino)-3-methylbutanoate Traditional Name: 3-methyl-2-(thiochroman-4-ylamino)butyric acid methyl ester Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2S/c1-10(2)14(15(17)18-3)16-12-8-9-19-13-7-5-4-6-11(12)13/h4-7,10,12,14,16H,8-9H2,1-3H3