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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC3=CC=C(C=C3)C(=O)O

InChI

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