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

Systemtic Name: tert-butyl N-[6-[(2-ethanoyl-6-oxidanyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Openeye Name: tert-butyl N-[6-[(2-acetyl-6-hydroxy-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate CAS Name: N-[6-[(2-acetyl-6-hydroxyanilino)-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[(2-acetyl-6-hydroxyphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Traditional Name: N-[6-[(2-acetyl-6-hydroxy-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CC=C1)O)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=C(C(=CC=C1)O)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H21N3O5S/c1-11(25)13-6-5-7-15(26)17(13)23-18(27)12-8-9-14-16(10-12)30-19(22-14)24-20(28)29-21(2,3)4/h5-10,26H,1-4H3,(H,23,27)(H,22,24,28)