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

Systemtic Name: butyl 2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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