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

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]propanoic acid Openeye Name: 3-[(6-chlorothiochroman-4-yl)amino]propanoic acid CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]propanoic acid IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanoic acid Traditional Name: 3-[(6-chlorothiochroman-4-yl)amino]propionic acid Formula: C12H14ClNO2S MolecularWeight: 271.76306

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NCCC(=O)O)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NCCC(=O)O)C=C(C=C2)Cl

InChI

InChI=1S/C12H14ClNO2S/c13-8-1-2-11-9(7-8)10(4-6-17-11)14-5-3-12(15)16/h1-2,7,10,14H,3-6H2,(H,15,16)