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

Systemtic Name: ethyl 5-acetyloxy-2-(carbamimidoylsulfanylmethyl)-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-(carbamimidoylsulfanylmethyl)-1-phenyl-indole-3-carboxylate CAS Name: 5-acetyloxy-2-[(carbamimidoylthio)methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-(carbamimidoylsulfanylmethyl)-1-phenylindole-3-carboxylate Traditional Name: 5-acetoxy-2-[(amidinothio)methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C3=CC=CC=C3)CSC(=N)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C3=CC=CC=C3)CSC(=N)N

InChI

InChI=1S/C21H21N3O4S/c1-3-27-20(26)19-16-11-15(28-13(2)25)9-10-17(16)24(14-7-5-4-6-8-14)18(19)12-29-21(22)23/h4-11H,3,12H2,1-2H3,(H3,22,23)