4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]isophthalic acid Formula: C18H14N2O5S MolecularWeight: 370.37916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O)C#N

InChI

InChI=1S/C18H14N2O5S/c19-8-13-10-3-1-2-4-14(10)26-16(13)20-15(21)11-6-5-9(17(22)23)7-12(11)18(24)25/h5-7H,1-4H2,(H,20,21)(H,22,23)(H,24,25)