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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-(carbamimidoylsulfanylmethyl)-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[(carbamimidoylthio)methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C16H18BrN3O4S MolecularWeight: 428.30082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O4S/c1-4-23-15(22)14-9-5-13(24-8(2)21)10(17)6-11(9)20(3)12(14)7-25-16(18)19/h5-6H,4,7H2,1-3H3,(H3,18,19)