butoxycarbonyloxy-[6-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid

Systemtic Name: butoxycarbonyloxy-[6-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Openeye Name: butoxycarbonyloxy-[6-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid CAS Name: [butoxy(oxo)methoxy]-[6-[oxo-(2,4,6-trimethylanilino)methyl]-1,3-benzothiazol-2-yl]carbamic acid IUPAC Name: butoxycarbonyloxy-[6-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Traditional Name: butoxycarbonyloxy-[6-(mesitylcarbamoyl)-1,3-benzothiazol-2-yl]carbamic acid Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)ON(C1=NC2=C(S1)C=C(C=C2)C(=O)NC3=C(C=C(C=C3C)C)C)C(=O)O

Isomeric SMILES

CCCCOC(=O)ON(C1=NC2=C(S1)C=C(C=C2)C(=O)NC3=C(C=C(C=C3C)C)C)C(=O)O

InChI

InChI=1S/C23H25N3O6S/c1-5-6-9-31-23(30)32-26(22(28)29)21-24-17-8-7-16(12-18(17)33-21)20(27)25-19-14(3)10-13(2)11-15(19)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,25,27)(H,28,29)