1,3-benzothiazol-2-ylmethyl 3-[(4-oxidanylidene-4-phenyl-butanoyl)amino]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-oxidanylidene-4-phenyl-butanoyl)amino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-oxo-4-phenyl-butanoyl)amino]propanoate CAS Name: 3-[(1,4-dioxo-4-phenylbutyl)amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate Traditional Name: 3-[(4-keto-4-phenyl-butanoyl)amino]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCC(=O)NCCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCC(=O)NCCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H20N2O4S/c24-17(15-6-2-1-3-7-15)10-11-19(25)22-13-12-21(26)27-14-20-23-16-8-4-5-9-18(16)28-20/h1-9H,10-14H2,(H,22,25)