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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(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)NCCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S2/c1-13-6-8-14(9-7-13)26(22,23)19-11-10-18(21)24-12-17-20-15-4-2-3-5-16(15)25-17/h2-9,19H,10-12H2,1H3