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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1H-indole-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-chloro-1H-indole-2-carboxylate CAS Name: 3-chloro-1H-indole-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate Traditional Name: 3-chloro-1H-indole-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C19H14ClN3O3S MolecularWeight: 399.85076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N)Cl

InChI

InChI=1S/C19H14ClN3O3S/c20-17-12-5-1-2-6-13(12)23-18(17)19(25)26-11-16(24)22-14-7-3-4-8-15(14)27-10-9-21/h1-8,23H,10-11H2,(H,22,24)