tert-butyl N-[(2S)-1-[[2-(oxidanylcarbamoyl)-1-benzothiophen-6-yl]amino]-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[2-(oxidanylcarbamoyl)-1-benzothiophen-6-yl]amino]-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-[[2-(hydroxycarbamoyl)benzothiophen-6-yl]amino]ethyl]carbamate CAS Name: N-[(2S)-1-[[2-[(hydroxyamino)-oxomethyl]-1-benzothiophen-6-yl]amino]-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]amino]-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[[2-(hydroxycarbamoyl)benzothiophen-6-yl]amino]ethyl]carbamic acid tert-butyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CNC2=CC3=C(C=C2)C=C(S3)C(=O)NO

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)CNC2=CC3=C(C=C2)C=C(S3)C(=O)NO

InChI

InChI=1S/C23H27N3O4S/c1-23(2,3)30-22(28)25-18(11-15-7-5-4-6-8-15)14-24-17-10-9-16-12-20(21(27)26-29)31-19(16)13-17/h4-10,12-13,18,24,29H,11,14H2,1-3H3,(H,25,28)(H,26,27)/t18-/m0/s1