2-(butanoylamino)-3-[2-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]phenyl]propanoic acid

Systemtic Name: 2-(butanoylamino)-3-[2-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]phenyl]propanoic acid Openeye Name: 3-[2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]-2-(butanoylamino)propanoic acid CAS Name: 3-[2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]-2-(1-oxobutylamino)propanoic acid IUPAC Name: 3-[2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]-2-(butanoylamino)propanoic acid Traditional Name: 3-[2-[2-(6-benzoyl-2-keto-1,3-benzothiazol-3-yl)ethoxy]phenyl]-2-butyramido-propionic acid Formula: C29H28N2O6S MolecularWeight: 532.60742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=CC=C1OCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O)C(=O)O

Isomeric SMILES

CCCC(=O)NC(CC1=CC=CC=C1OCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O)C(=O)O

InChI

InChI=1S/C29H28N2O6S/c1-2-8-26(32)30-22(28(34)35)17-20-11-6-7-12-24(20)37-16-15-31-23-14-13-21(18-25(23)38-29(31)36)27(33)19-9-4-3-5-10-19/h3-7,9-14,18,22H,2,8,15-17H2,1H3,(H,30,32)(H,34,35)