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

Systemtic Name: methyl 2-[6-(diethylamino)-2-(diphenylamino)-3-phenylsulfanyl-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-[6-(diethylamino)-2-(N-phenylanilino)-3-phenylsulfanyl-9H-xanthen-9-yl]benzoate CAS Name: 2-[6-(diethylamino)-2-(N-phenylanilino)-3-(phenylthio)-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[6-(diethylamino)-2-(N-phenylanilino)-3-phenylsulfanyl-9H-xanthen-9-yl]benzoate Traditional Name: 2-[6-(diethylamino)-2-(N-phenylanilino)-3-(phenylthio)-9H-xanthen-9-yl]benzoic acid methyl ester Formula: C43H38N2O3S MolecularWeight: 662.83842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)SC4=CC=CC=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7C(=O)OC

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)SC4=CC=CC=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7C(=O)OC

InChI

InChI=1S/C43H38N2O3S/c1-4-44(5-2)32-25-26-36-39(27-32)48-40-29-41(49-33-21-13-8-14-22-33)38(45(30-17-9-6-10-18-30)31-19-11-7-12-20-31)28-37(40)42(36)34-23-15-16-24-35(34)43(46)47-3/h6-29,42H,4-5H2,1-3H3