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

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-bromophenyl)sulfanylmethyl]carbamate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) N-[(4-bromophenyl)sulfanylmethyl]carbamate CAS Name: N-[[(4-bromophenyl)thio]methyl]carbamic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-bromophenyl)sulfanylmethyl]carbamate Traditional Name: N-[[(4-bromophenyl)thio]methyl]carbamic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H18BrNO3S/c1-18(2)10-12-4-3-5-15(16(12)23-18)22-17(21)20-11-24-14-8-6-13(19)7-9-14/h3-9H,10-11H2,1-2H3,(H,20,21)