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

Systemtic Name: ethyl (6S)-6-tert-butyl-2-(ethoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-6-tert-butyl-2-(ethoxycarbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-tert-butyl-2-(ethoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-tert-butyl-2-(ethoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-tert-butyl-2-(carbethoxyamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C(C)(C)C)NC(=O)OCC

InChI

InChI=1S/C18H27NO4S/c1-6-22-16(20)14-12-9-8-11(18(3,4)5)10-13(12)24-15(14)19-17(21)23-7-2/h11H,6-10H2,1-5H3,(H,19,21)/t11-/m0/s1