ethyl 5-acetyloxy-6-bromanyl-1-(4-methylphenyl)-2-[(N'-phenylcarbamimidoyl)sulfanylmethyl]indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-(4-methylphenyl)-2-[(N'-phenylcarbamimidoyl)sulfanylmethyl]indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(N'-phenylcarbamimidoyl)sulfanylmethyl]-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-acetyloxy-2-[[[amino(phenylimino)methyl]thio]methyl]-6-bromo-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-(4-methylphenyl)-2-[(N'-phenylcarbamimidoyl)sulfanylmethyl]indole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[(N'-phenylamidino)thio]methyl]-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C28H26BrN3O4S MolecularWeight: 580.49274

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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)C)CSC(=NC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=C(C=C3)C)CSC(=NC4=CC=CC=C4)N

InChI

InChI=1S/C28H26BrN3O4S/c1-4-35-27(34)26-21-14-25(36-18(3)33)22(29)15-23(21)32(20-12-10-17(2)11-13-20)24(26)16-37-28(30)31-19-8-6-5-7-9-19/h5-15H,4,16H2,1-3H3,(H2,30,31)