3-methyl-2-[(2-phenoxy-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(2-phenoxy-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[(2-phenoxy-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[(2-phenoxy-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[(2-phenoxy-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[(2-phenoxy-1,3-benzothiazol-6-yl)sulfonylamino]butyric acid Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)OC3=CC=CC=C3

InChI

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