ethyl 2-[2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]ethanoate Openeye Name: ethyl 2-[2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]acetate CAS Name: 2-[2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]acetate Traditional Name: 2-[2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]acetic acid ethyl ester Formula: C27H31ClN4O4S MolecularWeight: 543.07744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C(=O)N=C1SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CN=C3

Isomeric SMILES

CCOC(=O)CN1C=C(C(=O)N=C1SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CN=C3

InChI

InChI=1S/C27H31ClN4O4S/c1-2-36-25(34)18-32-17-22(14-20-15-29-19-30-16-20)26(35)31-27(32)37-13-7-5-3-4-6-8-24(33)21-9-11-23(28)12-10-21/h9-12,15-17,19H,2-8,13-14,18H2,1H3