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

Systemtic Name: 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]terephthalic acid CAS Name: 2-[[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]terephthalic acid Traditional Name: 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]terephthalic acid Formula: C21H15N3O5S MolecularWeight: 421.4259

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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)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O5S/c1-11-15-10-17(30-19(15)24(23-11)13-5-3-2-4-6-13)18(25)22-16-9-12(20(26)27)7-8-14(16)21(28)29/h2-10H,1H3,(H,22,25)(H,26,27)(H,28,29)