[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (3S)-3-benzamido-3-phenyl-propanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (3S)-3-benzamido-3-phenyl-propanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] (3S)-3-benzamido-3-phenyl-propanoate CAS Name: (3S)-3-benzamido-3-phenylpropanoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate Traditional Name: (3S)-3-benzamido-3-phenyl-propionic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C24H20N4O4S MolecularWeight: 460.505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC(=O)NC2=CC=CC3=NSN=C32)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)OCC(=O)NC2=CC=CC3=NSN=C32)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H20N4O4S/c29-21(25-18-12-7-13-19-23(18)28-33-27-19)15-32-22(30)14-20(16-8-3-1-4-9-16)26-24(31)17-10-5-2-6-11-17/h1-13,20H,14-15H2,(H,25,29)(H,26,31)/t20-/m0/s1