(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (6-isopropyl-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-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C28H25ClO4S MolecularWeight: 493.0137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl)C(C)C

InChI

InChI=1S/C28H25ClO4S/c1-17(2)24-14-25-21(13-27(30)33-26(25)12-18(24)3)15-32-28(31)20-6-4-19(5-7-20)16-34-23-10-8-22(29)9-11-23/h4-14,17H,15-16H2,1-3H3