[4,6-ditert-butyl-2-[(carbamothioylamino)methyl]-2-methyl-3H-1-benzofuran-5-yl] ethanoate

Systemtic Name: [4,6-ditert-butyl-2-[(carbamothioylamino)methyl]-2-methyl-3H-1-benzofuran-5-yl] ethanoate Openeye Name: [4,6-ditert-butyl-2-[(carbamothioylamino)methyl]-2-methyl-3H-benzofuran-5-yl] acetate CAS Name: acetic acid [4,6-ditert-butyl-2-[(carbamothioylamino)methyl]-2-methyl-3H-benzofuran-5-yl] ester IUPAC Name: [4,6-ditert-butyl-2-[(carbamothioylamino)methyl]-2-methyl-3H-1-benzofuran-5-yl] acetate Traditional Name: acetic acid [4,6-ditert-butyl-2-methyl-2-(thioureidomethyl)coumaran-5-yl] ester Formula: C21H32N2O3S MolecularWeight: 392.55538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(C=C1C(C)(C)C)OC(C2)(C)CNC(=S)N)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=C(C2=C(C=C1C(C)(C)C)OC(C2)(C)CNC(=S)N)C(C)(C)C

InChI

InChI=1S/C21H32N2O3S/c1-12(24)25-17-14(19(2,3)4)9-15-13(16(17)20(5,6)7)10-21(8,26-15)11-23-18(22)27/h9H,10-11H2,1-8H3,(H3,22,23,27)