2-[1-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethoxy-phenyl-methyl]-3-phenyl-pyrazol-4-yl]propanoic acid

Systemtic Name: 2-[1-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethoxy-phenyl-methyl]-3-phenyl-pyrazol-4-yl]propanoic acid Openeye Name: 2-[1-[2-(3-oxo-1,4-benzothiazin-4-yl)ethoxy-phenyl-methyl]-3-phenyl-pyrazol-4-yl]propanoic acid CAS Name: 2-[1-[2-(3-oxo-1,4-benzothiazin-4-yl)ethoxy-phenylmethyl]-3-phenyl-4-pyrazolyl]propanoic acid IUPAC Name: 2-[1-[2-(3-oxo-1,4-benzothiazin-4-yl)ethoxy-phenylmethyl]-3-phenylpyrazol-4-yl]propanoic acid Traditional Name: 2-[1-[2-(3-keto-1,4-benzothiazin-4-yl)ethoxy-phenyl-methyl]-3-phenyl-pyrazol-4-yl]propionic acid Formula: C29H27N3O4S MolecularWeight: 513.60738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(N=C1C2=CC=CC=C2)C(C3=CC=CC=C3)OCCN4C(=O)CSC5=CC=CC=C54)C(=O)O

Isomeric SMILES

CC(C1=CN(N=C1C2=CC=CC=C2)C(C3=CC=CC=C3)OCCN4C(=O)CSC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C29H27N3O4S/c1-20(29(34)35)23-18-32(30-27(23)21-10-4-2-5-11-21)28(22-12-6-3-7-13-22)36-17-16-31-24-14-8-9-15-25(24)37-19-26(31)33/h2-15,18,20,28H,16-17,19H2,1H3,(H,34,35)