(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid (2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl ester IUPAC Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid (2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl ester Formula: C23H22O4S MolecularWeight: 394.48338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23)C

InChI

InChI=1S/C23H22O4S/c1-14-6-7-19(8-15(14)2)28-13-23(25)26-12-18-11-22(24)27-21-10-17-5-3-4-16(17)9-20(18)21/h6-11H,3-5,12-13H2,1-2H3