ethyl 6-tert-butyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[(2-ethyl-1-oxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C21H33NO3S/c1-7-13(8-2)18(23)22-19-17(20(24)25-9-3)15-11-10-14(21(4,5)6)12-16(15)26-19/h13-14H,7-12H2,1-6H3,(H,22,23)