2-(2H-chromen-3-yl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-(2H-chromen-3-yl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-(2H-chromen-3-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(2H-1-benzopyran-3-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-(2H-chromen-3-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2H-chromen-3-yl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H11N2O4S- MolecularWeight: 339.34524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC4=CC=CC=C4OC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC4=CC=CC=C4OC3)C(=O)[O-]

InChI

InChI=1S/C17H12N2O4S/c1-8-12-15(20)18-14(19-16(12)24-13(8)17(21)22)10-6-9-4-2-3-5-11(9)23-7-10/h2-6H,7H2,1H3,(H,21,22)(H,18,19,20)/p-1