tert-butyl 2-(octoxycarbonylamino)-5-(4-phenylbutyl)thiophene-3-carboxylate

Systemtic Name: tert-butyl 2-(octoxycarbonylamino)-5-(4-phenylbutyl)thiophene-3-carboxylate Openeye Name: tert-butyl 2-(octoxycarbonylamino)-5-(4-phenylbutyl)thiophene-3-carboxylate CAS Name: 2-[[octoxy(oxo)methyl]amino]-5-(4-phenylbutyl)-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(octoxycarbonylamino)-5-(4-phenylbutyl)thiophene-3-carboxylate Traditional Name: 2-(octoxycarbonylamino)-5-(4-phenylbutyl)thiophene-3-carboxylic acid tert-butyl ester Formula: C28H41NO4S MolecularWeight: 487.69444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C=C(S1)CCCCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H41NO4S/c1-5-6-7-8-9-15-20-32-27(31)29-25-24(26(30)33-28(2,3)4)21-23(34-25)19-14-13-18-22-16-11-10-12-17-22/h10-12,16-17,21H,5-9,13-15,18-20H2,1-4H3,(H,29,31)