1-[(4-carboxyphenyl)methyl]-5,6-bis(oxidanylidene)-2-thiophen-2-yl-4H-pyrimidine-4-carboxylic acid

Systemtic Name: 1-[(4-carboxyphenyl)methyl]-5,6-bis(oxidanylidene)-2-thiophen-2-yl-4H-pyrimidine-4-carboxylic acid Openeye Name: 1-[(4-carboxyphenyl)methyl]-5,6-dioxo-2-(2-thienyl)-4H-pyrimidine-4-carboxylic acid CAS Name: 1-[(4-carboxyphenyl)methyl]-5,6-dioxo-2-thiophen-2-yl-4H-pyrimidine-4-carboxylic acid IUPAC Name: 1-[(4-carboxyphenyl)methyl]-5,6-dioxo-2-thiophen-2-yl-4H-pyrimidine-4-carboxylic acid Traditional Name: 1-(4-carboxybenzyl)-5,6-diketo-2-(2-thienyl)-4H-pyrimidine-4-carboxylic acid Formula: C17H12N2O6S MolecularWeight: 372.35198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(C(=O)C(=O)N2CC3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=NC(C(=O)C(=O)N2CC3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H12N2O6S/c20-13-12(17(24)25)18-14(11-2-1-7-26-11)19(15(13)21)8-9-3-5-10(6-4-9)16(22)23/h1-7,12H,8H2,(H,22,23)(H,24,25)