methyl 2-[6-(diethylamino)-2-(diphenylamino)-3-methylsulfanyl-9H-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[6-(diethylamino)-2-(diphenylamino)-3-methylsulfanyl-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-[6-(diethylamino)-3-methylsulfanyl-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoate CAS Name: 2-[6-(diethylamino)-3-(methylthio)-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[6-(diethylamino)-3-methylsulfanyl-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoate Traditional Name: 2-[6-(diethylamino)-3-(methylthio)-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoic acid methyl ester Formula: C38H36N2O3S MolecularWeight: 600.76904

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)SC)N(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6C(=O)OC

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)SC)N(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6C(=O)OC

InChI

InChI=1S/C38H36N2O3S/c1-5-39(6-2)28-21-22-31-34(23-28)43-35-25-36(44-4)33(40(26-15-9-7-10-16-26)27-17-11-8-12-18-27)24-32(35)37(31)29-19-13-14-20-30(29)38(41)42-3/h7-25,37H,5-6H2,1-4H3