2-methoxycarbonyl-7-thiophen-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

Systemtic Name: 2-methoxycarbonyl-7-thiophen-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid Openeye Name: 2-methoxycarbonyl-7-(3-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid CAS Name: 2-methoxycarbonyl-7-(3-thiophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid IUPAC Name: 2-methoxycarbonyl-7-thiophen-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid Traditional Name: 2-carbomethoxy-7-(3-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=NC(=CC(N2N1)C3=CSC=C3)C(=O)O

Isomeric SMILES

COC(=O)C1=NC2=NC(=CC(N2N1)C3=CSC=C3)C(=O)O

InChI

InChI=1S/C12H10N4O4S/c1-20-11(19)9-14-12-13-7(10(17)18)4-8(16(12)15-9)6-2-3-21-5-6/h2-5,8H,1H3,(H,17,18)(H,13,14,15)