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

Systemtic Name: 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-methyl-benzoic acid Openeye Name: 2-methyl-3-(thiochroman-4-ylamino)benzoic acid CAS Name: 3-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-2-methylbenzoic acid IUPAC Name: 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-methylbenzoic acid Traditional Name: 2-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=CC=C1NC2CCSC3=CC=CC=C23)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC2CCSC3=CC=CC=C23)C(=O)O

InChI

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