1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S2/c1-12(20-27(22,23)14-9-7-13(24-2)8-10-14)18(21)25-11-17-19-15-5-3-4-6-16(15)26-17/h3-10,12,20H,11H2,1-2H3/t12-/m0/s1