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

Systemtic Name: 5-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-2-[(E)-2-(3-nitrophenyl)vinyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-2-[(E)-2-(3-nitrophenyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O5S/c1-8-12-14(20)17-11(18-15(12)25-13(8)16(21)22)6-5-9-3-2-4-10(7-9)19(23)24/h2-7H,1H3,(H,21,22)(H,17,18,20)/b6-5+