2-[(1,3-dimethylthieno[2,3-c]pyrazol-5-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(1,3-dimethylthieno[2,3-c]pyrazol-5-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(1,3-dimethylthieno[2,3-c]pyrazole-5-carbonyl)amino]terephthalic acid CAS Name: 2-[[(1,3-dimethyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(1,3-dimethylthieno[2,3-c]pyrazole-5-carbonyl)amino]terephthalic acid Traditional Name: 2-[(1,3-dimethylthieno[2,3-c]pyrazole-5-carbonyl)amino]terephthalic acid Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C16H13N3O5S/c1-7-10-6-12(25-14(10)19(2)18-7)13(20)17-11-5-8(15(21)22)3-4-9(11)16(23)24/h3-6H,1-2H3,(H,17,20)(H,21,22)(H,23,24)