1,3-benzothiazol-2-ylmethyl (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-(butylsulfonylamino)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C15H20N2O4S2 MolecularWeight: 356.4603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H20N2O4S2/c1-3-4-9-23(19,20)17-11(2)15(18)21-10-14-16-12-7-5-6-8-13(12)22-14/h5-8,11,17H,3-4,9-10H2,1-2H3/t11-/m0/s1