tert-butyl N-[6-[(2,6-dimethoxyphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate

Systemtic Name: tert-butyl N-[6-[(2,6-dimethoxyphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Openeye Name: tert-butyl N-[6-[(2,6-dimethoxyphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate CAS Name: N-[6-[(2,6-dimethoxyanilino)-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[(2,6-dimethoxyphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Traditional Name: N-[6-[(2,6-dimethoxyphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=C(C=CC=C3OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=C(C=CC=C3OC)OC

InChI

InChI=1S/C21H23N3O5S/c1-21(2,3)29-20(26)24-19-22-13-10-9-12(11-16(13)30-19)18(25)23-17-14(27-4)7-6-8-15(17)28-5/h6-11H,1-5H3,(H,23,25)(H,22,24,26)