4-(3,4-dihydro-1H-isothiochromen-4-ylamino)-3-methyl-benzoic acid

Systemtic Name: 4-(3,4-dihydro-1H-isothiochromen-4-ylamino)-3-methyl-benzoic acid Openeye Name: 4-(isothiochroman-4-ylamino)-3-methyl-benzoic acid CAS Name: 4-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)-3-methylbenzoic acid IUPAC Name: 4-(3,4-dihydro-1H-isothiochromen-4-ylamino)-3-methylbenzoic acid Traditional Name: 4-(isothiochroman-4-ylamino)-3-methyl-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)NC2CSCC3=CC=CC=C23

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC2CSCC3=CC=CC=C23

InChI

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