[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C22H20O3S3 MolecularWeight: 428.5874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C22H20O3S3/c1-14-3-5-15(6-4-14)17-9-10-26-20(17)21(23)25-18-8-7-16(13-19(18)24-2)22-27-11-12-28-22/h3-10,13,22H,11-12H2,1-2H3