[2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(5-tert-butyl-2-methoxy-anilino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(5-tert-butyl-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C22H22ClNO4S MolecularWeight: 431.93238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H22ClNO4S/c1-22(2,3)13-9-10-16(27-4)15(11-13)24-18(25)12-28-21(26)20-19(23)14-7-5-6-8-17(14)29-20/h5-11H,12H2,1-4H3,(H,24,25)