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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2O4S2/c1-12-7-9-14(10-8-12)26(22,23)20-13(2)18(21)24-11-17-19-15-5-3-4-6-16(15)25-17/h3-10,13,20H,11H2,1-2H3/t13-/m0/s1