tert-butyl N-[2-(1,3-benzodioxol-5-yl)-1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(1,3-benzodioxol-5-yl)-1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(1,3-benzodioxol-5-yl)-1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)ethyl]carbamate CAS Name: N-[2-(1,3-benzodioxol-5-yl)-1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(1,3-benzodioxol-5-yl)-1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)ethyl]carbamate Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)ethyl]carbamic acid tert-butyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)NC2=C(O1)C=CC(=C2)C(CC3=CC4=C(C=C3)OCO4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1C(=S)NC2=C(O1)C=CC(=C2)C(CC3=CC4=C(C=C3)OCO4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H26N2O5S/c1-13-21(31)24-17-11-15(6-8-18(17)29-13)16(25-22(26)30-23(2,3)4)9-14-5-7-19-20(10-14)28-12-27-19/h5-8,10-11,13,16H,9,12H2,1-4H3,(H,24,31)(H,25,26)