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

Systemtic Name: 2-[5-[4-[(2-phenylphenyl)amino]phenyl]carbonyl-2H-1,5-benzothiazepin-2-yl]ethanoic acid Openeye Name: 2-[5-[4-(2-phenylanilino)benzoyl]-2H-1,5-benzothiazepin-2-yl]acetic acid CAS Name: 2-[5-[oxo-[4-(2-phenylanilino)phenyl]methyl]-2H-1,5-benzothiazepin-2-yl]acetic acid IUPAC Name: 2-[5-[4-(2-phenylanilino)benzoyl]-2H-1,5-benzothiazepin-2-yl]acetic acid Traditional Name: 2-[5-[4-(2-phenylanilino)benzoyl]-2H-1,5-benzothiazepin-2-yl]acetic acid Formula: C30H24N2O3S MolecularWeight: 492.58816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC3=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=C2NC3=CC=C(C=C3)C(=O)N4C=CC(SC5=CC=CC=C54)CC(=O)O

InChI

InChI=1S/C30H24N2O3S/c33-29(34)20-24-18-19-32(27-12-6-7-13-28(27)36-24)30(35)22-14-16-23(17-15-22)31-26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-19,24,31H,20H2,(H,33,34)