2-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(E)-2-(3-hydroxyphenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(3-hydroxyphenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H11N2O4S- MolecularWeight: 327.33454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C=CC3=CC(=CC=C3)O)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4S/c1-8-12-14(20)17-11(18-15(12)23-13(8)16(21)22)6-5-9-3-2-4-10(19)7-9/h2-7,19H,1H3,(H,21,22)(H,17,18,20)/p-1/b6-5+