ethyl 2-[(4-oxidanylidene-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(4-oxidanylidene-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-(4-oxo-3-phenethyl-benzothiopheno[3,2-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-oxo-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-3-phenethyl-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]acetic acid ethyl ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)SC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)SC4=CC=CC=C42

InChI

InChI=1S/C22H20N2O3S2/c1-2-27-18(25)14-28-22-23-19-16-10-6-7-11-17(16)29-20(19)21(26)24(22)13-12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3