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

Systemtic Name: tert-butyl N-[6-[[2-(2-hydroxyethyl)-6-methyl-phenyl]carbamoyl]-1,3-benzothiazol-2-yl]carbamate Openeye Name: tert-butyl N-[6-[[2-(2-hydroxyethyl)-6-methyl-phenyl]carbamoyl]-1,3-benzothiazol-2-yl]carbamate CAS Name: N-[6-[[2-(2-hydroxyethyl)-6-methylanilino]-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[[2-(2-hydroxyethyl)-6-methylphenyl]carbamoyl]-1,3-benzothiazol-2-yl]carbamate Traditional Name: N-[6-[[2-(2-hydroxyethyl)-6-methyl-phenyl]carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CCO)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)CCO)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H25N3O4S/c1-13-6-5-7-14(10-11-26)18(13)24-19(27)15-8-9-16-17(12-15)30-20(23-16)25-21(28)29-22(2,3)4/h5-9,12,26H,10-11H2,1-4H3,(H,24,27)(H,23,25,28)