tert-butyl N-[(2S)-1-[(4Z)-1,1-bis(oxidanylidene)-2-(phenylmethyl)-3,6,8,9-tetrahydro-1,2,7-thiadiazonin-7-yl]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(4Z)-1,1-bis(oxidanylidene)-2-(phenylmethyl)-3,6,8,9-tetrahydro-1,2,7-thiadiazonin-7-yl]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[(4Z)-2-benzyl-1,1-dioxo-3,6,8,9-tetrahydro-1,2,7-thiadiazonin-7-yl]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[(4Z)-1,1-dioxo-2-(phenylmethyl)-3,6,8,9-tetrahydro-1,2,7-thiadiazonin-7-yl]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(4Z)-2-benzyl-1,1-dioxo-3,6,8,9-tetrahydro-1,2,7-thiadiazonin-7-yl]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[(4Z)-2-benzyl-1,1-diketo-3,6,8,9-tetrahydro-1,2,7-thiadiazonin-7-yl]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCS(=O)(=O)N(CC=CC1)CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N1CCS(=O)(=O)N(C/C=C\C1)CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O5S/c1-17(22-20(26)29-21(2,3)4)19(25)23-12-8-9-13-24(30(27,28)15-14-23)16-18-10-6-5-7-11-18/h5-11,17H,12-16H2,1-4H3,(H,22,26)/b9-8-/t17-/m0/s1