1,3-benzothiazol-2-ylmethyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H12BrNO3S MolecularWeight: 402.26178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H12BrNO3S/c1-10-12-8-11(19)6-7-14(12)23-17(10)18(21)22-9-16-20-13-4-2-3-5-15(13)24-16/h2-8H,9H2,1H3