ethyl 4-[5-(1,3-dioxolan-2-ylmethylsulfanyl)-7-oxidanylidene-6-(oxolan-2-ylmethyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]benzoate

Systemtic Name: ethyl 4-[5-(1,3-dioxolan-2-ylmethylsulfanyl)-7-oxidanylidene-6-(oxolan-2-ylmethyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]benzoate Openeye Name: ethyl 4-[5-(1,3-dioxolan-2-ylmethylsulfanyl)-7-oxo-6-(tetrahydrofuran-2-ylmethyl)-2-thioxo-thiazolo[4,5-d]pyrimidin-3-yl]benzoate CAS Name: 4-[5-(1,3-dioxolan-2-ylmethylthio)-7-oxo-6-(2-oxolanylmethyl)-2-sulfanylidene-3-thiazolo[4,5-d]pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(1,3-dioxolan-2-ylmethylsulfanyl)-7-oxo-6-(oxolan-2-ylmethyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]benzoate Traditional Name: 4-[5-(1,3-dioxolan-2-ylmethylthio)-7-keto-6-(tetrahydrofurfuryl)-2-thioxo-thiazolo[4,5-d]pyrimidin-3-yl]benzoic acid ethyl ester Formula: C23H25N3O6S3 MolecularWeight: 535.6561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC4OCCO4)CC5CCCO5)SC2=S

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC4OCCO4)CC5CCCO5)SC2=S

InChI

InChI=1S/C23H25N3O6S3/c1-2-29-21(28)14-5-7-15(8-6-14)26-19-18(35-23(26)33)20(27)25(12-16-4-3-9-30-16)22(24-19)34-13-17-31-10-11-32-17/h5-8,16-17H,2-4,9-13H2,1H3