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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H17ClO4S MolecularWeight: 388.86458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClO4S/c1-13-2-7-17-14(11-20(23)25-18(17)10-13)12-24-19(22)8-9-26-16-5-3-15(21)4-6-16/h2-7,10-11H,8-9,12H2,1H3