5-[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dithiepane-3,7-dicarboxylic acid

Systemtic Name: 5-[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dithiepane-3,7-dicarboxylic acid Openeye Name: 5-[3-[(2-phenylthiazol-4-yl)methoxy]phenyl]dithiepane-3,7-dicarboxylic acid CAS Name: 5-[3-[(2-phenyl-4-thiazolyl)methoxy]phenyl]dithiepane-3,7-dicarboxylic acid IUPAC Name: 5-[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]dithiepane-3,7-dicarboxylic acid Traditional Name: 5-[3-[(2-phenylthiazol-4-yl)methoxy]phenyl]dithiepane-3,7-dicarboxylic acid Formula: C23H21NO5S3 MolecularWeight: 487.61154

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(SSC1C(=O)O)C(=O)O)C2=CC(=CC=C2)OCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(SSC1C(=O)O)C(=O)O)C2=CC(=CC=C2)OCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H21NO5S3/c25-22(26)19-10-16(11-20(23(27)28)32-31-19)15-7-4-8-18(9-15)29-12-17-13-30-21(24-17)14-5-2-1-3-6-14/h1-9,13,16,19-20H,10-12H2,(H,25,26)(H,27,28)