tert-butyl N-[2-(2-acetamido-1-methoxy-1-methyl-3-oxidanylidene-aziridin-1-ium-2-yl)-4-(1,3-dithian-2-ylidene)cyclopentyl]carbamate

Systemtic Name: tert-butyl N-[2-(2-acetamido-1-methoxy-1-methyl-3-oxidanylidene-aziridin-1-ium-2-yl)-4-(1,3-dithian-2-ylidene)cyclopentyl]carbamate Openeye Name: tert-butyl N-[2-(2-acetamido-1-methoxy-1-methyl-3-oxo-aziridin-1-ium-2-yl)-4-(1,3-dithian-2-ylidene)cyclopentyl]carbamate CAS Name: N-[2-(2-acetamido-1-methoxy-1-methyl-3-oxo-2-aziridin-1-iumyl)-4-(1,3-dithian-2-ylidene)cyclopentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(2-acetamido-1-methoxy-1-methyl-3-oxoaziridin-1-ium-2-yl)-4-(1,3-dithian-2-ylidene)cyclopentyl]carbamate Traditional Name: N-[2-(2-acetamido-3-keto-1-methoxy-1-methyl-ethylenimin-1-ium-2-yl)-4-(1,3-dithian-2-ylidene)cyclopentyl]carbamic acid tert-butyl ester Formula: C20H32N3O5S2+ MolecularWeight: 458.61518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C(=O)[N+]1(C)OC)C2CC(=C3SCCCS3)CC2NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1(C(=O)[N+]1(C)OC)C2CC(=C3SCCCS3)CC2NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O5S2/c1-12(24)22-20(17(25)23(20,5)27-6)14-10-13(16-29-8-7-9-30-16)11-15(14)21-18(26)28-19(2,3)4/h14-15H,7-11H2,1-6H3,(H-,21,22,24,26)/p+1