ethyl 5-bromanyl-3-[[N'-[(2S)-butan-2-yl]carbamimidoyl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[[N'-[(2S)-butan-2-yl]carbamimidoyl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[N'-[(1S)-1-methylpropyl]carbamimidoyl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[amino-[(2S)-butan-2-yl]iminomethyl]thio]methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[N'-[(2S)-butan-2-yl]carbamimidoyl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[[N'-[(1S)-1-methylpropyl]amidino]thio]methyl]coumarilic acid ethyl ester Formula: C17H21BrN2O3S MolecularWeight: 413.32924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N=C(N)SCC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC

InChI

InChI=1S/C17H21BrN2O3S/c1-4-10(3)20-17(19)24-9-13-12-8-11(18)6-7-14(12)23-15(13)16(21)22-5-2/h6-8,10H,4-5,9H2,1-3H3,(H2,19,20)/t10-/m0/s1