4-(propan-2-ylamino)-2,3-dihydrothiochromene-4-carboxylic acid

Systemtic Name: 4-(propan-2-ylamino)-2,3-dihydrothiochromene-4-carboxylic acid Openeye Name: 4-(isopropylamino)thiochromane-4-carboxylic acid CAS Name: 4-(propan-2-ylamino)-2,3-dihydro-1-benzothiopyran-4-carboxylic acid IUPAC Name: 4-(propan-2-ylamino)-2,3-dihydrothiochromene-4-carboxylic acid Traditional Name: 4-(isopropylamino)thiochroman-4-carboxylic acid Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1(CCSC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)NC1(CCSC2=CC=CC=C21)C(=O)O

InChI

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