(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H25ClO5S MolecularWeight: 497.0024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5)Cl

InChI

InChI=1S/C27H25ClO5S/c1-16-11-24-20(13-22(16)28)17(12-25(29)32-24)14-31-27(30)26-21(15-34-18-7-3-2-4-8-18)19-9-5-6-10-23(19)33-26/h5-6,9-13,18H,2-4,7-8,14-15H2,1H3