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

Systemtic Name: 2-[(E)-2-(1-benzothiophen-3-yl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(E)-2-(benzothiophen-3-yl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(E)-2-(1-benzothiophen-3-yl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(E)-2-(1-benzothiophen-3-yl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[(E)-2-(benzothiophen-3-yl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H12N2O3S2 MolecularWeight: 368.42948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C=CC3=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C=C/C3=CSC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C18H12N2O3S2/c1-9-14-16(21)19-13(20-17(14)25-15(9)18(22)23)7-6-10-8-24-12-5-3-2-4-11(10)12/h2-8H,1H3,(H,22,23)(H,19,20,21)/b7-6+