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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C19H13ClN2O3S2 MolecularWeight: 416.90112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N)Cl

InChI

InChI=1S/C19H13ClN2O3S2/c20-17-12-5-1-3-7-14(12)27-18(17)19(24)25-11-16(23)22-13-6-2-4-8-15(13)26-10-9-21/h1-8H,10-11H2,(H,22,23)