2-[(E)-2-(2-ethoxynaphthalen-1-yl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[(E)-2-(2-ethoxynaphthalen-1-yl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(E)-2-(2-ethoxy-1-naphthyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(E)-2-(2-ethoxy-1-naphthalenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(E)-2-(2-ethoxynaphthalen-1-yl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[(E)-2-(2-ethoxy-1-naphthyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C=CC3=NC4=C(C(=C(S4)C(=O)O)C)C(=O)N3

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)/C=C/C3=NC4=C(C(=C(S4)C(=O)O)C)C(=O)N3

InChI

InChI=1S/C22H18N2O4S/c1-3-28-16-10-8-13-6-4-5-7-14(13)15(16)9-11-17-23-20(25)18-12(2)19(22(26)27)29-21(18)24-17/h4-11H,3H2,1-2H3,(H,26,27)(H,23,24,25)/b11-9+