[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H24O3S3 MolecularWeight: 420.60846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)C

InChI

InChI=1S/C21H24O3S3/c1-14-4-6-17(12-15(14)2)25-9-8-20(22)24-18-7-5-16(13-19(18)23-3)21-26-10-11-27-21/h4-7,12-13,21H,8-11H2,1-3H3