1,3-benzothiazol-2-ylmethyl 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[[(E)-styryl]sulfonylamino]propanoate CAS Name: 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Traditional Name: 3-[[(E)-styryl]sulfonylamino]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)/C=C/S(=O)(=O)NCCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O4S2/c22-19(25-14-18-21-16-8-4-5-9-17(16)26-18)10-12-20-27(23,24)13-11-15-6-2-1-3-7-15/h1-9,11,13,20H,10,12,14H2/b13-11+