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

Systemtic Name: ethyl 6-tert-butyl-2-(2-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-(2-phenoxybutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[(1-oxo-2-phenoxybutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-(2-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-(2-phenoxybutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H33NO4S MolecularWeight: 443.59882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OCC)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OCC)OC3=CC=CC=C3

InChI

InChI=1S/C25H33NO4S/c1-6-19(30-17-11-9-8-10-12-17)22(27)26-23-21(24(28)29-7-2)18-14-13-16(25(3,4)5)15-20(18)31-23/h8-12,16,19H,6-7,13-15H2,1-5H3,(H,26,27)