1,3-benzothiazol-2-ylmethyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=NC3=CC=CC=C3S2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2=NC3=CC=CC=C3S2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4S/c28-24(30-17-23-26-20-13-7-8-14-22(20)32-23)21(15-18-9-3-1-4-10-18)27-25(29)31-16-19-11-5-2-6-12-19/h1-14,21H,15-17H2,(H,27,29)