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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H19ClO4S MolecularWeight: 450.93396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H19ClO4S/c1-16-2-11-22-19(13-24(27)30-23(22)12-16)14-29-25(28)18-5-3-17(4-6-18)15-31-21-9-7-20(26)8-10-21/h2-13H,14-15H2,1H3