2-ethyl-5-[4-[(2-phenylphenyl)carbonylamino]phenyl]carbonyl-1,5-benzothiazepine-2-sulfonic acid

Systemtic Name: 2-ethyl-5-[4-[(2-phenylphenyl)carbonylamino]phenyl]carbonyl-1,5-benzothiazepine-2-sulfonic acid Openeye Name: 2-ethyl-5-[4-[(2-phenylbenzoyl)amino]benzoyl]-1,5-benzothiazepine-2-sulfonic acid CAS Name: 2-ethyl-5-[oxo-[4-[[oxo-(2-phenylphenyl)methyl]amino]phenyl]methyl]-1,5-benzothiazepine-2-sulfonic acid IUPAC Name: 2-ethyl-5-[4-[(2-phenylbenzoyl)amino]benzoyl]-1,5-benzothiazepine-2-sulfonic acid Traditional Name: 2-ethyl-5-[4-[(2-phenylbenzoyl)amino]benzoyl]-1,5-benzothiazepine-2-sulfonic acid Formula: C31H26N2O5S2 MolecularWeight: 570.67854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=CN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5)S(=O)(=O)O

Isomeric SMILES

CCC1(C=CN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5)S(=O)(=O)O

InChI

InChI=1S/C31H26N2O5S2/c1-2-31(40(36,37)38)20-21-33(27-14-8-9-15-28(27)39-31)30(35)23-16-18-24(19-17-23)32-29(34)26-13-7-6-12-25(26)22-10-4-3-5-11-22/h3-21H,2H2,1H3,(H,32,34)(H,36,37,38)