ethyl 5-acetyloxy-6-bromanyl-2-(carbamimidoylsulfanylmethyl)-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-(carbamimidoylsulfanylmethyl)-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-phenyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[(carbamimidoylthio)methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-phenylindole-3-carboxylate Traditional Name: 5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CSC(=N)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CSC(=N)N

InChI

InChI=1S/C21H20BrN3O4S/c1-3-28-20(27)19-14-9-18(29-12(2)26)15(22)10-16(14)25(13-7-5-4-6-8-13)17(19)11-30-21(23)24/h4-10H,3,11H2,1-2H3,(H3,23,24)