2-[1-oxidanylidene-5-[4-[(2-phenylphenyl)carbonylamino]phenyl]carbonyl-3,4-dihydro-2H-1$l^{4},5-benzothiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[1-oxidanylidene-5-[4-[(2-phenylphenyl)carbonylamino]phenyl]carbonyl-3,4-dihydro-2H-1$l^{4},5-benzothiazepin-2-yl]ethanoic acid Openeye Name: 2-[1-oxo-5-[4-[(2-phenylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-1$l^{4},5-benzothiazepin-2-yl]acetic acid CAS Name: 2-[1-oxo-5-[oxo-[4-[[oxo-(2-phenylphenyl)methyl]amino]phenyl]methyl]-3,4-dihydro-2H-1$l^{4},5-benzothiazepin-2-yl]acetic acid IUPAC Name: 2-[1-oxo-5-[4-[(2-phenylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-1$l^{4},5-benzothiazepin-2-yl]acetic acid Traditional Name: 2-[1-keto-5-[4-[(2-phenylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-1$l^{4},5-benzothiazepin-2-yl]acetic acid Formula: C31H26N2O5S MolecularWeight: 538.61354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2S(=O)C1CC(=O)O)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C1CN(C2=CC=CC=C2S(=O)C1CC(=O)O)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C31H26N2O5S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)39(24)38)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/h1-17,24H,18-20H2,(H,32,36)(H,34,35)