4-(5-ethyl-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate

Systemtic Name: 4-(5-ethyl-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate Openeye Name: 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate CAS Name: 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate IUPAC Name: 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate Traditional Name: 4-(5-ethyl-4-keto-6-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate Formula: C16H13N2O3S- MolecularWeight: 313.35102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C16H14N2O3S/c1-3-11-8(2)22-15-12(11)14(19)17-13(18-15)9-4-6-10(7-5-9)16(20)21/h4-7H,3H2,1-2H3,(H,20,21)(H,17,18,19)/p-1