S-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-chloranyl-1-benzothiophene-2-carbothioate

Systemtic Name: S-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-chloranyl-1-benzothiophene-2-carbothioate Openeye Name: S-[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-chlorobenzothiophene-2-carbothioate CAS Name: 3-chloro-1-benzothiophene-2-carbothioic acid S-[2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: S-[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-chloro-1-benzothiophene-2-carbothioate Traditional Name: 3-chlorobenzothiophene-2-carbothioic acid S-(2-keto-2-mesidino-ethyl) ester Formula: C20H18ClNO2S2 MolecularWeight: 403.94542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C20H18ClNO2S2/c1-11-8-12(2)18(13(3)9-11)22-16(23)10-25-20(24)19-17(21)14-6-4-5-7-15(14)26-19/h4-9H,10H2,1-3H3,(H,22,23)