methyl N-[2-[(6-tert-butyl-4-methoxy-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate

Systemtic Name: methyl N-[2-[(6-tert-butyl-4-methoxy-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate Openeye Name: methyl N-[2-[(6-tert-butyl-4-methoxy-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate CAS Name: N-[2-[[(6-tert-butyl-4-methoxy-2,3-dihydro-1,4-benzoxazin-3-yl)thio]methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(6-tert-butyl-4-methoxy-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate Traditional Name: N-[2-[[(6-tert-butyl-4-methoxy-2,3-dihydro-1,4-benzoxazin-3-yl)thio]methyl]phenyl]carbamic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(N2OC)SCC3=CC=CC=C3NC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(N2OC)SCC3=CC=CC=C3NC(=O)OC

InChI

InChI=1S/C22H28N2O4S/c1-22(2,3)16-10-11-19-18(12-16)24(27-5)20(13-28-19)29-14-15-8-6-7-9-17(15)23-21(25)26-4/h6-12,20H,13-14H2,1-5H3,(H,23,25)