2-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]benzoic acid CAS Name: 2-[[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)carbamoyl]benzoic acid Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2C(=O)O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2C(=O)O)C#N)C

InChI

InChI=1S/C17H14N2O5S/c1-3-24-17(23)13-9(2)12(8-18)15(25-13)19-14(20)10-6-4-5-7-11(10)16(21)22/h4-7H,3H2,1-2H3,(H,19,20)(H,21,22)