2-[5-[4-[(2-phenylphenyl)carbonylamino]phenyl]carbonyl-2H-1,5-benzothiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[5-[4-[(2-phenylphenyl)carbonylamino]phenyl]carbonyl-2H-1,5-benzothiazepin-2-yl]ethanoic acid Openeye Name: 2-[5-[4-[(2-phenylbenzoyl)amino]benzoyl]-2H-1,5-benzothiazepin-2-yl]acetic acid CAS Name: 2-[5-[oxo-[4-[[oxo-(2-phenylphenyl)methyl]amino]phenyl]methyl]-2H-1,5-benzothiazepin-2-yl]acetic acid IUPAC Name: 2-[5-[4-[(2-phenylbenzoyl)amino]benzoyl]-2H-1,5-benzothiazepin-2-yl]acetic acid Traditional Name: 2-[5-[4-[(2-phenylbenzoyl)amino]benzoyl]-2H-1,5-benzothiazepin-2-yl]acetic acid Formula: C31H24N2O4S MolecularWeight: 520.59826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4C=CC(SC5=CC=CC=C54)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4C=CC(SC5=CC=CC=C54)CC(=O)O

InChI

InChI=1S/C31H24N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-19,24H,20H2,(H,32,36)(H,34,35)