(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H19ClO4S MolecularWeight: 402.89116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H19ClO4S/c1-13-9-18-15(11-21(24)26-19(18)10-14(13)2)12-25-20(23)7-8-27-17-5-3-16(22)4-6-17/h3-6,9-11H,7-8,12H2,1-2H3