tert-butyl 2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid tert-butyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C18H18N2O3S2/c1-18(2,3)23-13(21)10-25-17-19-15(22)14-12(9-24-16(14)20-17)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,19,20,22)