tert-butyl 2-(3-ethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(3-ethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-[3-ethyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[(3-ethyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[[3-ethyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid tert-butyl ester Formula: C18H20N2O3S3 MolecularWeight: 408.558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)OC(C)(C)C)SC=C2C3=CC=CS3

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)OC(C)(C)C)SC=C2C3=CC=CS3

InChI

InChI=1S/C18H20N2O3S3/c1-5-20-16(22)14-11(12-7-6-8-24-12)9-25-15(14)19-17(20)26-10-13(21)23-18(2,3)4/h6-9H,5,10H2,1-4H3