ethyl 4-[[6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-3-oxobutanoate Traditional Name: 3-keto-4-[[7-keto-3-(3-methoxyphenyl)-6-p-phenetyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]thio]butyric acid ethyl ester Formula: C26H25N3O6S3 MolecularWeight: 571.6882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)CC(=O)OCC)N(C(=S)S3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)CC(=O)OCC)N(C(=S)S3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H25N3O6S3/c1-4-34-19-11-9-16(10-12-19)29-24(32)22-23(27-25(29)37-15-18(30)14-21(31)35-5-2)28(26(36)38-22)17-7-6-8-20(13-17)33-3/h6-13H,4-5,14-15H2,1-3H3