2-chloranyl-5-(3,4-dihydro-1H-isothiochromen-4-ylamino)benzoic acid

Systemtic Name: 2-chloranyl-5-(3,4-dihydro-1H-isothiochromen-4-ylamino)benzoic acid Openeye Name: 2-chloro-5-(isothiochroman-4-ylamino)benzoic acid CAS Name: 2-chloro-5-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)benzoic acid IUPAC Name: 2-chloro-5-(3,4-dihydro-1H-isothiochromen-4-ylamino)benzoic acid Traditional Name: 2-chloro-5-(isothiochroman-4-ylamino)benzoic acid Formula: C16H14ClNO2S MolecularWeight: 319.80586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO2S/c17-14-6-5-11(7-13(14)16(19)20)18-15-9-21-8-10-3-1-2-4-12(10)15/h1-7,15,18H,8-9H2,(H,19,20)