3-ethyl-5-methyl-4-oxidanylidene-2-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid

Systemtic Name: 3-ethyl-5-methyl-4-oxidanylidene-2-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid Openeye Name: 3-ethyl-5-methyl-4-oxo-2-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid CAS Name: 3-ethyl-5-methyl-4-oxo-2-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid IUPAC Name: 3-ethyl-5-methyl-4-oxo-2-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid Traditional Name: 3-ethyl-4-keto-5-methyl-2-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid Formula: C16H15N2O3S+ MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N=C2C(C1=O)C(=C(S2)C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CC[N+]1=C(N=C2C(C1=O)C(=C(S2)C(=O)O)C)C3=CC=CC=C3

InChI

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