[4-(1,3-dithiolan-2-yl)phenyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-[(4-methylphenoxy)methyl]thiazole-4-carboxylate CAS Name: 2-[(4-methylphenoxy)methyl]-4-thiazolecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(4-methylphenoxy)methyl]thiazole-4-carboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C21H19NO3S3 MolecularWeight: 429.57546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H19NO3S3/c1-14-2-6-16(7-3-14)24-12-19-22-18(13-28-19)20(23)25-17-8-4-15(5-9-17)21-26-10-11-27-21/h2-9,13,21H,10-12H2,1H3