[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] (3-nitrophenyl)sulfanylmethanoate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] (3-nitrophenyl)sulfanylmethanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] (3-nitrophenyl)sulfanylformate CAS Name: [(3-nitrophenyl)thio]formic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] (3-nitrophenyl)sulfanylformate Traditional Name: [(3-nitrophenyl)thio]formic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C18H21N5O5S2 MolecularWeight: 451.51984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)SC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)SC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5S2/c1-18(2,3)14-19-20-15(30-14)22-13(8-9-21(4)16(22)24)28-17(25)29-12-7-5-6-11(10-12)23(26)27/h5-7,10,13H,8-9H2,1-4H3