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

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid (2-keto-2-mesidino-ethyl) ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl)C

InChI

InChI=1S/C21H20ClNO4S/c1-11-7-12(2)19(13(3)8-11)23-17(24)10-27-21(25)20-18(22)15-6-5-14(26-4)9-16(15)28-20/h5-9H,10H2,1-4H3,(H,23,24)