(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C30H26O5S MolecularWeight: 498.58944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C30H26O5S/c31-27-16-20(28-22-11-5-4-8-19(22)14-15-26(28)34-27)17-33-30(32)29-24(18-36-21-9-2-1-3-10-21)23-12-6-7-13-25(23)35-29/h4-8,11-16,21H,1-3,9-10,17-18H2