ethyl 4-[4-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-3-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]amino]-2-sulfanylidene-imidazolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-3-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]amino]-2-sulfanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-[2-(4-methoxyanilino)-2-oxo-ethyl]-5-oxo-3-(2,3,4,5,6-pentafluoroanilino)-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-3-(2,3,4,5,6-pentafluoroanilino)-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-3-(2,3,4,5,6-pentafluoroanilino)-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[5-keto-4-[2-keto-2-(p-anisidino)ethyl]-3-(2,3,4,5,6-pentafluoroanilino)-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C27H21F5N4O5S MolecularWeight: 608.536456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)NC3=C(C(=C(C(=C3F)F)F)F)F)CC(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)NC3=C(C(=C(C(=C3F)F)F)F)F)CC(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H21F5N4O5S/c1-3-41-26(39)13-4-8-15(9-5-13)35-25(38)17(12-18(37)33-14-6-10-16(40-2)11-7-14)36(27(35)42)34-24-22(31)20(29)19(28)21(30)23(24)32/h4-11,17,34H,3,12H2,1-2H3,(H,33,37)