2-[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]butanethioic S-acid

Systemtic Name: 2-[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]butanethioic S-acid Openeye Name: 2-[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]butanethioic S-acid CAS Name: 2-[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]butanethioic S-acid IUPAC Name: 2-[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]butanethioic S-acid Traditional Name: 2-[3-(2-fluorophenyl)indoxazen-6-yl]thiobutyric acid Formula: C17H14FNO2S MolecularWeight: 315.361963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)C(=NO2)C3=CC=CC=C3F)C(=O)S

Isomeric SMILES

CCC(C1=CC2=C(C=C1)C(=NO2)C3=CC=CC=C3F)C(=O)S

InChI

InChI=1S/C17H14FNO2S/c1-2-11(17(20)22)10-7-8-13-15(9-10)21-19-16(13)12-5-3-4-6-14(12)18/h3-9,11H,2H2,1H3,(H,20,22)