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

Systemtic Name: ethyl 6-tert-butyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-(1-oxopropylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-propionamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3S/c1-6-14(20)19-16-15(17(21)22-7-2)12-9-8-11(18(3,4)5)10-13(12)23-16/h11H,6-10H2,1-5H3,(H,19,20)