3-methyl-5-(phenylmethoxycarbonylamino)thiophene-2,4-dicarboxylic acid

Systemtic Name: 3-methyl-5-(phenylmethoxycarbonylamino)thiophene-2,4-dicarboxylic acid Openeye Name: 5-(benzyloxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 3-methyl-5-(phenylmethoxycarbonylamino)thiophene-2,4-dicarboxylic acid IUPAC Name: 3-methyl-5-(phenylmethoxycarbonylamino)thiophene-2,4-dicarboxylic acid Traditional Name: 5-(benzyloxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C15H13NO6S MolecularWeight: 335.33182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H13NO6S/c1-8-10(13(17)18)12(23-11(8)14(19)20)16-15(21)22-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,21)(H,17,18)(H,19,20)