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

Systemtic Name: tert-butyl 2-(5-cyclopropyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(5-cyclopropyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(5-cyclopropyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-cyclopropyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(5-cyclopropyl-4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid tert-butyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(C(=CS2)C3CC3)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(C(=CS2)C3CC3)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S2/c1-21(2,3)26-16(24)12-28-20-22-18-17(15(11-27-18)13-9-10-13)19(25)23(20)14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3