(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-bromanyl-2-methyl-phenyl)sulfanylmethyl]carbamate

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-bromanyl-2-methyl-phenyl)sulfanylmethyl]carbamate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) N-[(4-bromo-2-methyl-phenyl)sulfanylmethyl]carbamate CAS Name: N-[[(4-bromo-2-methylphenyl)thio]methyl]carbamic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-bromo-2-methylphenyl)sulfanylmethyl]carbamate Traditional Name: N-[[(4-bromo-2-methyl-phenyl)thio]methyl]carbamic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCNC(=O)OC2=CC=CC3=C2OC(C3)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCNC(=O)OC2=CC=CC3=C2OC(C3)(C)C

InChI

InChI=1S/C19H20BrNO3S/c1-12-9-14(20)7-8-16(12)25-11-21-18(22)23-15-6-4-5-13-10-19(2,3)24-17(13)15/h4-9H,10-11H2,1-3H3,(H,21,22)