5-[bis(phenylmethyl)amino]-1-benzothiophene-2,3-dicarboxylic acid

Systemtic Name: 5-[bis(phenylmethyl)amino]-1-benzothiophene-2,3-dicarboxylic acid Openeye Name: 5-(dibenzylamino)benzothiophene-2,3-dicarboxylic acid CAS Name: 5-[bis(phenylmethyl)amino]-1-benzothiophene-2,3-dicarboxylic acid IUPAC Name: 5-(dibenzylamino)-1-benzothiophene-2,3-dicarboxylic acid Traditional Name: 5-(dibenzylamino)benzothiophene-2,3-dicarboxylic acid Formula: C24H19NO4S MolecularWeight: 417.47696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC4=C(C=C3)SC(=C4C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC4=C(C=C3)SC(=C4C(=O)O)C(=O)O

InChI

InChI=1S/C24H19NO4S/c26-23(27)21-19-13-18(11-12-20(19)30-22(21)24(28)29)25(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,26,27)(H,28,29)