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

Systemtic Name: 4-(3,4-dihydro-1H-isothiochromen-4-ylamino)benzoic acid Openeye Name: 4-(isothiochroman-4-ylamino)benzoic acid CAS Name: 4-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)benzoic acid IUPAC Name: 4-(3,4-dihydro-1H-isothiochromen-4-ylamino)benzoic acid Traditional Name: 4-(isothiochroman-4-ylamino)benzoic acid Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CS1)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C(C2=CC=CC=C2CS1)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H15NO2S/c18-16(19)11-5-7-13(8-6-11)17-15-10-20-9-12-3-1-2-4-14(12)15/h1-8,15,17H,9-10H2,(H,18,19)