(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)C

InChI

InChI=1S/C21H20O5S/c1-13-3-5-17(9-14(13)2)27-8-7-20(23)25-12-15-10-21(24)26-19-11-16(22)4-6-18(15)19/h3-6,9-11,22H,7-8,12H2,1-2H3