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

Systemtic Name: methyl 6-tert-butyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H31NO3S MolecularWeight: 365.53004

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO3S/c1-7-12(8-2)17(22)21-18-16(19(23)24-6)14-10-9-13(20(3,4)5)11-15(14)25-18/h12-13H,7-11H2,1-6H3,(H,21,22)