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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S2/c1-11(2)8-23-14(21)10-25-18-19-16(22)15-13(9-24-17(15)20-18)12-6-4-3-5-7-12/h3-7,9,11H,8,10H2,1-2H3,(H,19,20,22)