tert-butyl N-[5-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-2-methoxy-phenyl]carbamate

Systemtic Name: tert-butyl N-[5-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-2-methoxy-phenyl]carbamate Openeye Name: tert-butyl N-[5-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-2-methoxy-phenyl]carbamate CAS Name: N-[5-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]-2-methoxyphenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-2-methoxyphenyl]carbamate Traditional Name: N-[5-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]-2-methoxy-phenyl]carbamic acid tert-butyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C22H25N3O4S2/c1-22(2,3)29-21(27)25-16-11-14(9-10-17(16)28-4)23-19(26)12-30-13-20-24-15-7-5-6-8-18(15)31-20/h5-11H,12-13H2,1-4H3,(H,23,26)(H,25,27)