2-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]benzoic acid

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]benzoic acid Openeye Name: 2-[(6-chlorothiochroman-4-yl)amino]benzoic acid CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]benzoic acid IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]benzoic acid Traditional Name: 2-[(6-chlorothiochroman-4-yl)amino]benzoic acid Formula: C16H14ClNO2S MolecularWeight: 319.80586

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC3=CC=CC=C3C(=O)O)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC3=CC=CC=C3C(=O)O)C=C(C=C2)Cl

InChI

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