[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-chloranyl-1H-indole-2-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-chloranyl-1H-indole-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 5-bromo-3-chloro-1H-indole-2-carboxylate CAS Name: 5-bromo-3-chloro-1H-indole-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 5-bromo-3-chloro-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-chloro-1H-indole-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C19H13BrClN3O3S MolecularWeight: 478.74682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=C(C3=C(N2)C=CC(=C3)Br)Cl)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=C(C3=C(N2)C=CC(=C3)Br)Cl)SCC#N

InChI

InChI=1S/C19H13BrClN3O3S/c20-11-5-6-13-12(9-11)17(21)18(24-13)19(26)27-10-16(25)23-14-3-1-2-4-15(14)28-8-7-22/h1-6,9,24H,8,10H2,(H,23,25)