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

Systemtic Name: 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-4-methyl-benzoic acid Openeye Name: 4-methyl-3-(thiochroman-4-ylamino)benzoic acid CAS Name: 3-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-4-methylbenzoic acid IUPAC Name: 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-4-methylbenzoic acid Traditional Name: 4-methyl-3-(thiochroman-4-ylamino)benzoic acid Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2CCSC3=CC=CC=C23

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2CCSC3=CC=CC=C23

InChI

InChI=1S/C17H17NO2S/c1-11-6-7-12(17(19)20)10-15(11)18-14-8-9-21-16-5-3-2-4-13(14)16/h2-7,10,14,18H,8-9H2,1H3,(H,19,20)