2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]terephthalic acid

Systemtic Name: 2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]terephthalic acid Openeye Name: 2-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]terephthalic acid CAS Name: 2-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]terephthalic acid IUPAC Name: 2-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]terephthalic acid Traditional Name: 2-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]terephthalic acid Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)C

InChI

InChI=1S/C16H12N2O5S/c1-7-8(2)24-14(12(7)6-17)18-13(19)11-5-9(15(20)21)3-4-10(11)16(22)23/h3-5H,1-2H3,(H,18,19)(H,20,21)(H,22,23)