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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=NC2=CC=CC=C2S1)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4S2/c1-14(21-27(23,24)12-11-15-7-3-2-4-8-15)19(22)25-13-18-20-16-9-5-6-10-17(16)26-18/h2-12,14,21H,13H2,1H3/b12-11+/t14-/m0/s1