tert-butyl N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-2-(3-nitrophenyl)ethyl]carbamate

Systemtic Name: tert-butyl N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-2-(3-nitrophenyl)ethyl]carbamate Openeye Name: tert-butyl N-[1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-2-(3-nitrophenyl)ethyl]carbamate CAS Name: N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-2-(3-nitrophenyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-2-(3-nitrophenyl)ethyl]carbamate Traditional Name: N-[1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-2-(3-nitrophenyl)ethyl]carbamic acid tert-butyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)NC2=C(O1)C=CC(=C2)C(CC3=CC(=CC=C3)[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC1C(=S)NC2=C(O1)C=CC(=C2)C(CC3=CC(=CC=C3)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H25N3O5S/c1-13-20(31)23-18-12-15(8-9-19(18)29-13)17(24-21(26)30-22(2,3)4)11-14-6-5-7-16(10-14)25(27)28/h5-10,12-13,17H,11H2,1-4H3,(H,23,31)(H,24,26)