ethyl 5-bromanyl-3-[(N'-propylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(N'-propylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(N'-propylcarbamimidoyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[amino(propylimino)methyl]thio]methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(N'-propylcarbamimidoyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(N'-propylamidino)thio]methyl]coumarilic acid ethyl ester Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(N)SCC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC

Isomeric SMILES

CCCN=C(N)SCC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC

InChI

InChI=1S/C16H19BrN2O3S/c1-3-7-19-16(18)23-9-12-11-8-10(17)5-6-13(11)22-14(12)15(20)21-4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H2,18,19)