2-[2-[(4-methylsulfanylphenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-1H-indol-3-yl]ethyl benzoate

Systemtic Name: 2-[2-[(4-methylsulfanylphenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-1H-indol-3-yl]ethyl benzoate Openeye Name: 2-[2-[(2-hydroxy-4-oxo-chromen-3-yl)-(4-methylsulfanylphenyl)methyl]-1H-indol-3-yl]ethyl benzoate CAS Name: benzoic acid 2-[2-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-[4-(methylthio)phenyl]methyl]-1H-indol-3-yl]ethyl ester IUPAC Name: 2-[2-[(2-hydroxy-4-oxochromen-3-yl)-(4-methylsulfanylphenyl)methyl]-1H-indol-3-yl]ethyl benzoate Traditional Name: benzoic acid 2-[2-[(2-hydroxy-4-keto-chromen-3-yl)-[4-(methylthio)phenyl]methyl]-1H-indol-3-yl]ethyl ester Formula: C34H27NO5S MolecularWeight: 561.64688

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=C(OC3=CC=CC=C3C2=O)O)C4=C(C5=CC=CC=C5N4)CCOC(=O)C6=CC=CC=C6

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=C(OC3=CC=CC=C3C2=O)O)C4=C(C5=CC=CC=C5N4)CCOC(=O)C6=CC=CC=C6

InChI

InChI=1S/C34H27NO5S/c1-41-23-17-15-21(16-18-23)29(30-32(36)26-12-6-8-14-28(26)40-34(30)38)31-25(24-11-5-7-13-27(24)35-31)19-20-39-33(37)22-9-3-2-4-10-22/h2-18,29,35,38H,19-20H2,1H3