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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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