ethyl 5-acetyloxy-6-bromanyl-1-(4-bromophenyl)-2-(carbamimidoylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-(4-bromophenyl)-2-(carbamimidoylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-1-(4-bromophenyl)-2-(carbamimidoylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-1-(4-bromophenyl)-2-[(carbamimidoylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-(4-bromophenyl)-2-(carbamimidoylsulfanylmethyl)indole-3-carboxylate Traditional Name: 5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-(4-bromophenyl)indole-3-carboxylic acid ethyl ester Formula: C21H19Br2N3O4S MolecularWeight: 569.26626

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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=C(C=C3)Br)CSC(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C21H19Br2N3O4S/c1-3-29-20(28)19-14-8-18(30-11(2)27)15(23)9-16(14)26(17(19)10-31-21(24)25)13-6-4-12(22)5-7-13/h4-9H,3,10H2,1-2H3,(H3,24,25)