tert-butyl 2-(octoxycarbonylamino)-5-(3-phenylpropyl)thiophene-3-carboxylate

Systemtic Name: tert-butyl 2-(octoxycarbonylamino)-5-(3-phenylpropyl)thiophene-3-carboxylate Openeye Name: tert-butyl 2-(octoxycarbonylamino)-5-(3-phenylpropyl)thiophene-3-carboxylate CAS Name: 2-[[octoxy(oxo)methyl]amino]-5-(3-phenylpropyl)-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(octoxycarbonylamino)-5-(3-phenylpropyl)thiophene-3-carboxylate Traditional Name: 2-(octoxycarbonylamino)-5-(3-phenylpropyl)thiophene-3-carboxylic acid tert-butyl ester Formula: C27H39NO4S MolecularWeight: 473.66786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO4S/c1-5-6-7-8-9-13-19-31-26(30)28-24-23(25(29)32-27(2,3)4)20-22(33-24)18-14-17-21-15-11-10-12-16-21/h10-12,15-16,20H,5-9,13-14,17-19H2,1-4H3,(H,28,30)