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

Systemtic Name: tert-butyl 2-(2-methylpropoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: tert-butyl 2-(isobutoxycarbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-methylpropoxy(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-methylpropoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(isobutoxycarbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid tert-butyl ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)COC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)(C)C

InChI

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