2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]terephthalic acid

Systemtic Name: 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]terephthalic acid Openeye Name: 2-[(4-phenylthiazol-2-yl)carbamoyl]terephthalic acid CAS Name: 2-[oxo-[(4-phenyl-2-thiazolyl)amino]methyl]terephthalic acid IUPAC Name: 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]terephthalic acid Traditional Name: 2-[(4-phenylthiazol-2-yl)carbamoyl]terephthalic acid Formula: C18H12N2O5S MolecularWeight: 368.36328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H12N2O5S/c21-15(13-8-11(16(22)23)6-7-12(13)17(24)25)20-18-19-14(9-26-18)10-4-2-1-3-5-10/h1-9H,(H,22,23)(H,24,25)(H,19,20,21)