(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C25H19ClO5S MolecularWeight: 466.93336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H19ClO5S/c1-29-20-8-11-22-18(12-24(27)31-23(22)13-20)14-30-25(28)17-4-2-16(3-5-17)15-32-21-9-6-19(26)7-10-21/h2-13H,14-15H2,1H3