2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]-3,4-dihydro-2H-chromen-8-yl]ethanethioic S-acid

Systemtic Name: 2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]-3,4-dihydro-2H-chromen-8-yl]ethanethioic S-acid Openeye Name: 2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]chroman-8-yl]ethanethioic S-acid CAS Name: 2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]-3,4-dihydro-2H-1-benzopyran-8-yl]ethanethioic S-acid IUPAC Name: 2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]-3,4-dihydro-2H-chromen-8-yl]ethanethioic S-acid Traditional Name: 2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]chroman-8-yl]thioacetic acid Formula: C18H18FNO4S2 MolecularWeight: 395.468223

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C1CNS(=O)(=O)C3=CC=C(C=C3)F)C=CC=C2CC(=O)S

Isomeric SMILES

C1COC2=C(C1CNS(=O)(=O)C3=CC=C(C=C3)F)C=CC=C2CC(=O)S

InChI

InChI=1S/C18H18FNO4S2/c19-14-4-6-15(7-5-14)26(22,23)20-11-13-8-9-24-18-12(10-17(21)25)2-1-3-16(13)18/h1-7,13,20H,8-11H2,(H,21,25)